3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one

C15H17N3O — CID 57267581

IUPAC3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one
SMILESCn1cnc(C2CCCN2c2ccccc2)cc1=O
InChIInChI=1S/C15H17N3O/c1-17-11-16-13(10-15(17)19)14-8-5-9-18(14)12-6-3-2-4-7-12/h2-4,6-7,10-11,14H,5,8-9H2,1H3
InChIKeyLMCYANJVHDKHSF-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.12
Rot. Bonds2

About 3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one

3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one (PubChem CID 57267581) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one
PubChem CID57267581
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one
SMILESCn1cnc(C2CCCN2c2ccccc2)cc1=O
InChIInChI=1S/C15H17N3O/c1-17-11-16-13(10-15(17)19)14-8-5-9-18(14)12-6-3-2-4-7-12/h2-4,6-7,10-11,14H,5,8-9H2,1H3
InChIKeyLMCYANJVHDKHSF-UHFFFAOYSA-N
XLogP2.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 138975238
N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide
CID 162743697
1,2-diphenylpyrrolidine;hydrochloride
CID 23512926
2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950671
3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951387
1,2-diphenylpyrrolidine;ethanol
CID 67627522
6-(1-phenylpyrrolidin-2-yl)quinoline
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(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
1-phenyl-N-(1-phenylpyrrolidin-2-yl)pyrrolidin-2-amine
CID 175548020
2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione
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2-phenyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
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CID 90619862

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one?
The IUPAC name of 3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one (CID 57267581) is 3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one is Cn1cnc(C2CCCN2c2ccccc2)cc1=O.
What is the InChIKey of 3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one?
The InChIKey is LMCYANJVHDKHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-17-11-16-13(10-15(17)19)14-8-5-9-18(14)12-6-3-2-4-7-12/h2-4,6-7,10-11,14H,5,8-9H2,1H3.
What are the key properties of 3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one?
3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one has a molecular weight of 255.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1-phenylpyrrolidin-2-yl)pyrimidin-4-one is sourced from PubChem (CID 57267581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).