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874779-29-0 | 2-(pyridin-2-yl)-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
CAS No: 874779-29-0 Catalog No: AG01ABCZ MDL No:MFCD14653757
Product Description
Catalog Number:
AG01ABCZ
Chemical Name:
2-(pyridin-2-yl)-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
CAS Number:
874779-29-0
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
MDL Number:
MFCD14653757
IUPAC Name:
2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
InChI:
InChI=1S/C12H11N3O/c16-12-8-4-3-6-9(8)14-11(15-12)10-5-1-2-7-13-10/h1-2,5,7H,3-4,6H2,(H,14,15,16)
InChI Key:
ZNIZXJGXUOXDQR-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1CCC2)c1ccccn1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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