4,6-Dichloro-5-methyl-2-pyrimidinamine - CAS 7153-13-1

Catalog:	BB034419
Product Name:	4,6-Dichloro-5-methyl-2-pyrimidinamine
CAS:	7153-13-1
Synonyms:	4,6-dichloro-5-methyl-2-pyrimidinamine; 4,6-dichloro-5-methylpyrimidin-2-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,6-dichloro-5-methylpyrimidin-2-amine
Description:	4,6-Dichloro-5-methyl-2-pyrimidinamine (CAS# 7153-13-1) is a useful research chemical.
Molecular Weight:	178.02
Molecular Formula:	C5H5Cl2N3
Canonical SMILES:	CC1=C(N=C(N=C1Cl)N)Cl
InChI:	InChI=1S/C5H5Cl2N3/c1-2-3(6)9-5(8)10-4(2)7/h1H3,(H2,8,9,10)
InChI Key:	ISVBZKXYQWWVPC-UHFFFAOYSA-N
Boiling Point:	354.1 °C at 760 mmHg
Density:	1.504 g/cm³
MDL:	MFCD00023253
LogP:	2.25520

Publication Number	Title	Priority Date
CN-111606891-A	(1,1, 1-trichloro-2) carbamate derivative and preparation method and application thereof	20200415
WO-2021038095-A1	Peptides and methods for the carbon-carbon bond formation	20190831
TW-202100162-A	3'3'-cyclic dinucleotides with carbocyclic nucleotide	20190307
WO-2020106560-A1	Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use	20181120
EP-3883576-A1	Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use	20181120

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	110
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:	2.1