3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one

C20H25N3O2 — CID 58284079

IUPAC3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one
SMILESCc1ccc(CC(=O)[C@H](CC2CCCC2)n2cnc(C)cc2=O)nc1
InChIInChI=1S/C20H25N3O2/c1-14-7-8-17(21-12-14)11-19(24)18(10-16-5-3-4-6-16)23-13-22-15(2)9-20(23)25/h7-9,12-13,16,18H,3-6,10-11H2,1-2H3/t18-/m0/s1
InChIKeyOMYKOVCVCMELHS-SFHVURJKSA-N
MW339.44 g/mol
LogP3.19
Rot. Bonds6

About 3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one

3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one (PubChem CID 58284079) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one
PubChem CID58284079
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one
SMILESCc1ccc(CC(=O)[C@H](CC2CCCC2)n2cnc(C)cc2=O)nc1
InChIInChI=1S/C20H25N3O2/c1-14-7-8-17(21-12-14)11-19(24)18(10-16-5-3-4-6-16)23-13-22-15(2)9-20(23)25/h7-9,12-13,16,18H,3-6,10-11H2,1-2H3/t18-/m0/s1
InChIKeyOMYKOVCVCMELHS-SFHVURJKSA-N
XLogP3.19
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(2S)-1-cyclopentyl-4-(5-methylpyrazin-2-yl)-3-oxobutan-2-yl]-6-(difluoromethyl)pyrimidin-4-one
CID 58284075
4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one
CID 58284077
1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one
CID 58284068
6-[4-cyclopentyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid
CID 123735312
6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid
CID 123142326
methyl 6-[3-(6-chloro-8-methyl-4-oxoquinazolin-3-yl)-4-cyclohexyl-2-oxobutyl]pyridine-3-carboxylate
CID 123830747
6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide
CID 123521465
3-[1-cyclohexyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-6-fluoroquinazolin-4-one
CID 123725788
3-[4-(5-chloro-2-pyridinyl)-1-cyclohexyl-3-oxobutan-2-yl]-7-(2-cyclopropylacetyl)quinazolin-4-one
CID 123824341
methyl 6-[4-cyclohexyl-3-(7-methylsulfonyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxylate
CID 123347575
1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione
CID 123519236
1-cyclohexyl-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 66446718

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one (CID 58284079) is 3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one is Cc1ccc(CC(=O)[C@H](CC2CCCC2)n2cnc(C)cc2=O)nc1.
What is the InChIKey of 3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one?
The InChIKey is OMYKOVCVCMELHS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-7-8-17(21-12-14)11-19(24)18(10-16-5-3-4-6-16)23-13-22-15(2)9-20(23)25/h7-9,12-13,16,18H,3-6,10-11H2,1-2H3/t18-/m0/s1.
What are the key properties of 3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one?
3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one has a molecular weight of 339.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 58284079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).