2-Amino-4-methoxy-6-methylpyrimidine - CAS 7749-47-5

Catalog:	BB035964
Product Name:	2-Amino-4-methoxy-6-methylpyrimidine
CAS:	7749-47-5
Synonyms:	4-methoxy-6-methylpyrimidin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	4-methoxy-6-methylpyrimidin-2-amine
Description:	2-Amino-4-methoxy-6-methylpyrimidine (CAS# 7749-47-5) is a reagent in the preparation of aminonitrocoumarins and related derivatives with antimicrobial activity.
Molecular Weight:	139.16
Molecular Formula:	C6H9N3O
Canonical SMILES:	CC1=CC(=NC(=N1)N)OC
InChI:	InChI=1S/C6H9N3O/c1-4-3-5(10-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
InChI Key:	SNWZXTZIZWBIDQ-UHFFFAOYSA-N
Boiling Point:	328.2 °C at 760 mmHg
Density:	1.174 g/cm³
Appearance:	White to pink to light beige crystalline powder
MDL:	MFCD00059768
LogP:	0.95700

Publication Number	Title	Priority Date
CN-111333871-A	Intrinsic self-repairing zwitterionic hydrogel and preparation method thereof	20200406
CN-111333840-A	Amino acid polymer with intrinsic self-repairing property and preparation method thereof	20200406
WO-2021204626-A1	Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors	20200406
CN-110642791-A	Sulfonylurea compound, preparation method thereof and application thereof in preparing herbicide	20191011
WO-2020018970-A1	Sulfonylurea compounds as inhibitors of interleukin-1 activity	20180720

PMID	Publication Date	Title	Journal
21579227	20100428	2-Amino-4-meth-oxy-6-methyl-pyrimidin-1-ium picrate	Acta crystallographica. Section E, Structure reports online
17317281	20071101	Stepwise charge transfer complexation of some pyrimidines with sigma-acceptor iodine involving a new unconventional acceptor	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
17336582	20071101	The hydrogen bonding and amino-imino tautomerization of the alkoxy-aminopyridines and amino-methoxypyrimidines with acetic acid The effects of the methoxy group	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
12506224	20030101	Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: pi-stacked chains of fused R22(8) rings, and centrosymmetric R22(8) dimers	Acta crystallographica. Section C, Crystal structure communications

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.074561919
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	139.074561919
Rotatable Bond Count:	1
Topological Polar Surface Area:	61 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6