Name: Name:2-(5-chlorothiophen-2-yl)-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
Brand: Angene
SKU: AG01A0DQ
Rating: 90 (10 reviews)

2-(5-chlorothiophen-2-yl)-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one

CAS No.:

1251200-68-6

Catalog Number:

AG01A0DQ

Molecular Formula:

C11H9ClN2OS

Molecular Weight:

252.7200

Catalog Number:

AG01A0DQ

Chemical Name:

2-(5-chlorothiophen-2-yl)-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one

CAS Number:

1251200-68-6

Molecular Formula:

C11H9ClN2OS

Molecular Weight:

252.7200

MDL Number:

MFCD14653770

IUPAC Name:

2-(5-chlorothiophen-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

InChI:

InChI=1S/C11H9ClN2OS/c12-9-5-4-8(16-9)10-13-7-3-1-2-6(7)11(15)14-10/h4-5H,1-3H2,(H,13,14,15)

InChI Key:

WERRMRZADWOONZ-UHFFFAOYSA-N

SMILES:

Clc1ccc(s1)c1nc2CCCc2c(=O)[nH]1

Complexity:

405

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.716g/mol

Monoisotopic Mass:

252.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6