2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C12H11N3O — CID 135966786

IUPAC2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c1CCC2
InChIInChI=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)
InChIKeyZNIZXJGXUOXDQR-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.32
Rot. Bonds1

About 2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135966786) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135966786
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c1CCC2
InChIInChI=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)
InChIKeyZNIZXJGXUOXDQR-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-(pyridin-2-yl)pyrimidin-4-ol
CID 135472985
2-Pyridin-2-Yl-7,8-Dihydro-5h-Thiopyrano[4,3-D]pyrimidin-4-Ol
CID 135418937
6-Methyl-2-(3-pyridinyl)-4-pyrimidinol
CID 135439676
Cyto8C5
CID 135435523
2-(Pyridin-3-yl)-6-(trifluoromethyl)pyrimidin-4-ol
CID 135410009
2-Oxo-6-(pyridin-2-yl)-1,2-dihydropyridine-3-carbonitrile
CID 2747085
5-Bromo-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinol
CID 135472875
2-Amino-6-pyridin-3-yl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136055841
6-Methyl-3-(2-pyridinyl)-1,2,4-triazin-5(2H)-one
CID 135441872
4-ethyl-5-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135400715
5-Chloro-2-imino-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 59151668
2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinol
CID 135409931

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135966786) is 2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is O=c1[nH]c(-c2ccccn2)nc2c1CCC2.
What is the InChIKey of 2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is ZNIZXJGXUOXDQR-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 213.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135966786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).