2,4-Dichloro-6-(4-methyl-3-penten-1-yl)pyrimidine - CAS 212650-38-9

Catalog:	BB016735
Product Name:	2,4-Dichloro-6-(4-methyl-3-penten-1-yl)pyrimidine
CAS:	212650-38-9
Synonyms:	2,4-dichloro-6-(4-methylpent-3-enyl)pyrimidine; 2,4-dichloro-6-(4-methylpent-3-enyl)pyrimidine

Technical Data

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Computed Properties

IUPAC Name:	2,4-dichloro-6-(4-methylpent-3-enyl)pyrimidine
Description:	2,4-Dichloro-6-(4-methyl-3-penten-1-yl)pyrimidine (CAS# 212650-38-9 ) is a useful research chemical.
Molecular Weight:	231.12
Molecular Formula:	C10H12Cl2N2
Canonical SMILES:	CC(=CCCC1=CC(=NC(=N1)Cl)Cl)C
InChI:	InChI=1S/C10H12Cl2N2/c1-7(2)4-3-5-8-6-9(11)14-10(12)13-8/h4,6H,3,5H2,1-2H3
InChI Key:	AEYXMIMTVWCWAX-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CA-2281545-C	N-heterocyclic derivatives as nos inhibitors	19970219
CZ-2008628-A3	N-Heterocyclic Derivatives as NOS Inhibitors	19970219
DE-69836422-T2	N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS	19970219
EP-0968206-A1	N-heterocyclic derivatives as nos inhibitors	19970219
EP-0968206-B1	N-heterocyclic derivatives as nos inhibitors	19970219

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Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.0377538
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.0377538
Rotatable Bond Count:	3
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4