4-Amino-6-chloro-5-methoxypyrimidine - CAS 5018-41-7

Name: 4-Amino-6-chloro-5-methoxypyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026942
Product Name:	4-Amino-6-chloro-5-methoxypyrimidine
CAS:	5018-41-7
Synonyms:	6-chloro-5-methoxy-4-pyrimidinamine; 6-chloro-5-methoxypyrimidin-4-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-chloro-5-methoxypyrimidin-4-amine
Description:	4-Amino-6-chloro-5-methoxypyrimidine (CAS# 5018-41-7) is a useful research chemical.
Molecular Weight:	159.57
Molecular Formula:	C5H6ClN3O
Canonical SMILES:	COC1=C(N=CN=C1Cl)N
InChI:	InChI=1S/C5H6ClN3O/c1-10-3-4(6)8-2-9-5(3)7/h2H,1H3,(H2,7,8,9)
InChI Key:	AAJZJNHQPBMCFV-UHFFFAOYSA-N
Boiling Point:	305.4 °C at 760 mmHg
Density:	1.398 g/cm³
Appearance:	White powder
MDL:	MFCD07787635
LogP:	1.30200

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Related Functional Groups

Amines and Anilines

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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

Publication Number	Title	Priority Date
WO-2021133894-A1	Btk inhibitors	20191223
US-2021107901-A1	Bicyclic amines as cdk2 inhibitors	20191011
WO-2021072232-A1	Bicyclic amines as cdk2 inhibitors	20191011
CN-112047932-A	Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof	20190605
CN-109020957-A	Heterocyclic compound as MNK inhibitor	20170612

Complexity:	113
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.0199395
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	159.0199395
Rotatable Bond Count:	1
Topological Polar Surface Area:	61 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8