2-Amino-4-methoxypyrimidine - CAS 155-90-8

Catalog:	BB011182
Product Name:	2-Amino-4-methoxypyrimidine
CAS:	155-90-8
Synonyms:	4-methoxy-2-pyrimidinamine; 4-methoxypyrimidin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	4-methoxypyrimidin-2-amine
Description:	2-Amino-4-methoxypyrimidine (CAS# 155-90-8) is a useful research chemical.
Molecular Weight:	125.13
Molecular Formula:	C5H7N3O
Canonical SMILES:	COC1=NC(=NC=C1)N
InChI:	InChI=1S/C5H7N3O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
InChI Key:	YNXLSFXQTQKQEF-UHFFFAOYSA-N
Boiling Point:	313.1 °C at 760 mmHg
Density:	1.224 g/cm³
LogP:	0.64860

Publication Number	Title	Priority Date
CN-111606891-A	(1,1, 1-trichloro-2) carbamate derivative and preparation method and application thereof	20200415
CN-111269896-A	Chlorimuron-ethyl degrading enzyme Kj-GST, coding gene Kj-GST thereof and application thereof	20200130
CN-113121528-A	Multi-target inhibition compound, composition, functional molecule and application thereof	20200115
WO-2021143729-A1	Compound, composition and functional molecule with multi-target inhibiting effect and use thereof	20200115
WO-2021108404-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125

PMID	Publication Date	Title	Journal
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

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	88.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.058911855
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	61 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2