1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one

C19H23N3O2 — CID 58284092

IUPAC1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one
SMILESCc1ccc(=O)n([C@@H](CC2CCCC2)C(=O)Cc2ncccn2)c1
InChIInChI=1S/C19H23N3O2/c1-14-7-8-19(24)22(13-14)16(11-15-5-2-3-6-15)17(23)12-18-20-9-4-10-21-18/h4,7-10,13,15-16H,2-3,5-6,11-12H2,1H3/t16-/m0/s1
InChIKeyFREAIOFXWQJJRC-INIZCTEOSA-N
MW325.41 g/mol
LogP2.88
Rot. Bonds6

About 1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one

1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one (PubChem CID 58284092) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one
PubChem CID58284092
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one
SMILESCc1ccc(=O)n([C@@H](CC2CCCC2)C(=O)Cc2ncccn2)c1
InChIInChI=1S/C19H23N3O2/c1-14-7-8-19(24)22(13-14)16(11-15-5-2-3-6-15)17(23)12-18-20-9-4-10-21-18/h4,7-10,13,15-16H,2-3,5-6,11-12H2,1H3/t16-/m0/s1
InChIKeyFREAIOFXWQJJRC-INIZCTEOSA-N
XLogP2.88
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one?
The IUPAC name of 1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one (CID 58284092) is 1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one.
What is the SMILES notation for 1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one?
The canonical SMILES for 1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one is Cc1ccc(=O)n([C@@H](CC2CCCC2)C(=O)Cc2ncccn2)c1.
What is the InChIKey of 1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one?
The InChIKey is FREAIOFXWQJJRC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-7-8-19(24)22(13-14)16(11-15-5-2-3-6-15)17(23)12-18-20-9-4-10-21-18/h4,7-10,13,15-16H,2-3,5-6,11-12H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one?
1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one has a molecular weight of 325.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one is sourced from PubChem (CID 58284092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).