6-Chloro-4,5-pyrimidinediamine - CAS 4316-98-7

Name: 6-Chloro-4,5-pyrimidinediamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025348
Product Name:	6-Chloro-4,5-pyrimidinediamine
CAS:	4316-98-7
Synonyms:	6-chloropyrimidine-4,5-diamine; 6-chloropyrimidine-4,5-diamine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	6-chloropyrimidine-4,5-diamine
Description:	A chlorinated diaminopyrimidine used in the preparation of various bioactive choloropurine derivatives.
Molecular Weight:	144.56
Molecular Formula:	C4H5ClN4
Canonical SMILES:	C1=NC(=C(C(=N1)Cl)N)N
InChI:	InChI=1S/C4H5ClN4/c5-3-2(6)4(7)9-1-8-3/h1H,6H2,(H2,7,8,9)
InChI Key:	VNSFICAUILKARD-UHFFFAOYSA-N
Boiling Point:	336.7 °C at 760 mmHg
Density:	1.564 g/cm³
MDL:	MFCD00023270
LogP:	1.45680

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Related Functional Groups

Amines and Anilines

[1855911-19-1]C7H13BrClN3
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1550-50-1]C4H7F4N
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1250876-38-0]C8H14N4
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1431965-90-0]C9H16ClN3
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1824357-78-9]C12H15N3
2-(1-Benzyl-3-pyrazolyl)ethylamine
[42150-24-3]C5H9N3
2-(4-Pyrazolyl)ethylamine

GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112209930-A	Istradefylline derivative and preparation method and application thereof	20201023
CN-112225748-A	Small molecule compound with FLT3 kinase inhibitory activity and application thereof	20201020
WO-2021119254-A1	Antagonists of the muscarinic acetylcholine receptor m4	20191210
PL-431177-A1	6-Chloro-4'-O-Î²-D- (4 "-O-methylglucopyranosyl) -flavone and method of making 6-chloro-4'-O-Î²-D- (4" -O-methylglucopyranosyl) -flavone	20190916
US-2021070792-A1	Organic electroluminescent materials and devices	20190906

Complexity:	98.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.0202739
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	144.0202739
Rotatable Bond Count:	0
Topological Polar Surface Area:	77.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1