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874779-30-3 | 2-(pyridin-4-yl)-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
CAS No: 874779-30-3 Catalog No: AG01AAIH MDL No:MFCD14653753
Product Description
Catalog Number:
AG01AAIH
Chemical Name:
2-(pyridin-4-yl)-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
CAS Number:
874779-30-3
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
MDL Number:
MFCD14653753
IUPAC Name:
2-pyridin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
InChI:
InChI=1S/C12H11N3O/c16-12-9-2-1-3-10(9)14-11(15-12)8-4-6-13-7-5-8/h4-7H,1-3H2,(H,14,15,16)
InChI Key:
HVOGCAVHAOBXEK-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1CCC2)c1ccncc1
Properties
Complexity:
378
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:
0.5
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