2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C15H21N3O — CID 136923771

IUPAC2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCN1C2CCC1CC(c1nc3c(c(=O)[nH]1)CCC3)C2
InChIInChI=1S/C15H21N3O/c1-18-10-5-6-11(18)8-9(7-10)14-16-13-4-2-3-12(13)15(19)17-14/h9-11H,2-8H2,1H3,(H,16,17,19)
InChIKeyPFKCFAPQOKXBNT-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.60
Rot. Bonds1

About 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 136923771) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID136923771
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCN1C2CCC1CC(c1nc3c(c(=O)[nH]1)CCC3)C2
InChIInChI=1S/C15H21N3O/c1-18-10-5-6-11(18)8-9(7-10)14-16-13-4-2-3-12(13)15(19)17-14/h9-11H,2-8H2,1H3,(H,16,17,19)
InChIKeyPFKCFAPQOKXBNT-UHFFFAOYSA-N
XLogP1.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one with MolForge

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Related Compounds

2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 82105309
4-hydroxy-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one
CID 115997685
2-Piperidin-4-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975363
2-Piperidin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136103107
2-Cycloheptyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136239550
5-[3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136251686
2-(Pyrrolidin-3-ylmethyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136392529
2-(Piperidin-4-ylmethyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136392563
2-(Piperidin-3-ylmethyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136392564
5-[3-[(2S)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136703676
4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 136729440
(6aS,9aR)-2-methyl-8-(2-methylpropanoyl)-5,6,6a,7,9,9a-hexahydro-3H-pyrrolo[3,4-h]quinazolin-4-one
CID 136816511

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 136923771) is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is CN1C2CCC1CC(c1nc3c(c(=O)[nH]1)CCC3)C2.
What is the InChIKey of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is PFKCFAPQOKXBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-10-5-6-11(18)8-9(7-10)14-16-13-4-2-3-12(13)15(19)17-14/h9-11H,2-8H2,1H3,(H,16,17,19).
What are the key properties of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 259.35 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 136923771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).