4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one

C17H25N3O — CID 136729440

IUPAC4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
SMILESCN1C2CCC1CC(c1nc(C3CCCC3)cc(=O)[nH]1)C2
InChIInChI=1S/C17H25N3O/c1-20-13-6-7-14(20)9-12(8-13)17-18-15(10-16(21)19-17)11-4-2-3-5-11/h10-14H,2-9H2,1H3,(H,18,19,21)
InChIKeyHLFPOMBBVQPVBV-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.77
Rot. Bonds2

About 4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one

4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one (PubChem CID 136729440) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
PubChem CID136729440
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
SMILESCN1C2CCC1CC(c1nc(C3CCCC3)cc(=O)[nH]1)C2
InChIInChI=1S/C17H25N3O/c1-20-13-6-7-14(20)9-12(8-13)17-18-15(10-16(21)19-17)11-4-2-3-5-11/h10-14H,2-9H2,1H3,(H,18,19,21)
InChIKeyHLFPOMBBVQPVBV-UHFFFAOYSA-N
XLogP2.77
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one (CID 136729440) is 4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one is CN1C2CCC1CC(c1nc(C3CCCC3)cc(=O)[nH]1)C2.
What is the InChIKey of 4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is HLFPOMBBVQPVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-20-13-6-7-14(20)9-12(8-13)17-18-15(10-16(21)19-17)11-4-2-3-5-11/h10-14H,2-9H2,1H3,(H,18,19,21).
What are the key properties of 4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 287.41 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136729440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).