5-Amino-2,4-dichloro-6-methylpyrimidine - CAS 13162-27-1

Catalog:	BB007459
Product Name:	5-Amino-2,4-dichloro-6-methylpyrimidine
CAS:	13162-27-1
Synonyms:	2,4-dichloro-6-methyl-5-pyrimidinamine; 2,4-dichloro-6-methylpyrimidin-5-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,4-dichloro-6-methylpyrimidin-5-amine
Description:	5-Amino-2,4-dichloro-6-methylpyrimidine (CAS# 13162-27-1) is a useful research chemical.
Molecular Weight:	178.02
Molecular Formula:	C5H5Cl2N3
Canonical SMILES:	CC1=C(C(=NC(=N1)Cl)Cl)N
InChI:	InChI=1S/C5H5Cl2N3/c1-2-3(8)4(6)10-5(7)9-2/h8H2,1H3
InChI Key:	FDMMHWIFYCXEOF-UHFFFAOYSA-N
Boiling Point:	281.6 °C at 760 mmHg
Density:	1.504 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	2.25520

Publication Number	Title	Priority Date
CN-111732535-A	Photochemical synthesis method of heteroaryl amine compound	20200810
CN-111732535-B	Photochemical synthesis method of heteroaryl amine compound	20200810
WO-2020186220-A1	Compounds as inhibitors of macrophage migration inhibitory factor	20190313
US-2019374542-A1	Kras g12c inhibitors and methods of using the same	20180612
WO-2020050890-A2	Kras g12c inhibitors and methods of using the same	20180612

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.9860526
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.9860526
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8