2-Amino-4,5,6-trichloropyrimidine - CAS 51501-53-2

Catalog:	BB027462
Product Name:	2-Amino-4,5,6-trichloropyrimidine
CAS:	51501-53-2
Synonyms:	4,5,6-trichloro-2-pyrimidinamine; 4,5,6-trichloropyrimidin-2-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	4,5,6-trichloropyrimidin-2-amine
Description:	2-Amino-4,5,6-trichloropyrimidine (CAS# 51501-53-2) is a useful research chemical compound.
Molecular Weight:	198.44
Molecular Formula:	C4H2Cl3N3
Canonical SMILES:	C1(=C(N=C(N=C1Cl)N)Cl)Cl
InChI:	InChI=1S/C4H2Cl3N3/c5-1-2(6)9-4(8)10-3(1)7/h(H2,8,9,10)
InChI Key:	PQUTUCGOBIRQIH-UHFFFAOYSA-N
Boiling Point:	386.3 °C at 760 mmHg
Density:	1.74 g/cm³
MDL:	MFCD12405318
LogP:	2.60020

Publication Number	Title	Priority Date
AU-2017359561-A1	Pyrimidinone derivatives as Cdc7 inhibitors	20161108
CA-3042929-A1	Pyrimidinone derivatives as cdc7 inhibitors	20161108
CN-110088100-A	Pyrimidone derivatives as CDC7 inhibitor	20161108
EP-3538523-A1	Pyrimidinone derivatives as cdc7 inhibitors	20161108
JP-2020506219-A	Pyrimidinone derivatives as cdc7 inhibitors	20161108

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Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.93143
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.93143
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4