2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one

C12H15N3O — CID 75596289

IUPAC2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one
SMILESO=C1NC(c2ccccn2)NC2CCCC12
InChIInChI=1S/C12H15N3O/c16-12-8-4-3-6-9(8)14-11(15-12)10-5-1-2-7-13-10/h1-2,5,7-9,11,14H,3-4,6H2,(H,15,16)
InChIKeyLAIHVYSZEXSKKY-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.97
Rot. Bonds1

About 2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one

2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 75596289) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one
PubChem CID75596289
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one
SMILESO=C1NC(c2ccccn2)NC2CCCC12
InChIInChI=1S/C12H15N3O/c16-12-8-4-3-6-9(8)14-11(15-12)10-5-1-2-7-13-10/h1-2,5,7-9,11,14H,3-4,6H2,(H,15,16)
InChIKeyLAIHVYSZEXSKKY-UHFFFAOYSA-N
XLogP0.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one with MolForge

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Related Compounds

2,4,6-tripyridin-2-yl-1,3,5-triazinane
CID 3057069
6-azabicyclo[3.2.0]heptan-7-one
CID 549320
2-(2-bromocyclopentyl)pyridine
CID 174692775
2-(diaziridin-3-yl)pyridine
CID 163685048
(3S)-3-benzyl-1,3,4,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]diazepine-2,5-dione
CID 101377555
(1R,4R,9R,12R,17R,20R)-2,10,18-triazatetracyclo[18.4.0.04,9.012,17]tetracosane-3,11,19-trione
CID 11646502
(3R)-3-pyridin-2-ylcyclopentan-1-one
CID 39235685
(12R)-13-azabicyclo[10.2.0]tetradecan-14-one
CID 58388573
3-pyridin-2-ylcyclodecan-1-one
CID 175713281
4-pyridin-2-ylcyclohexan-1-one
CID 21187660
2-[2-(5-pyridin-4-yl-1H-imidazol-2-yl)ethyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
CID 166596113
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one (CID 75596289) is 2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one is O=C1NC(c2ccccn2)NC2CCCC12.
What is the InChIKey of 2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is LAIHVYSZEXSKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12-8-4-3-6-9(8)14-11(15-12)10-5-1-2-7-13-10/h1-2,5,7-9,11,14H,3-4,6H2,(H,15,16).
What are the key properties of 2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one?
2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 217.27 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 75596289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).