5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one

C15H17N3O — CID 136764448

IUPAC5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(C2CCCN2)[nH]c1=O
InChIInChI=1S/C15H17N3O/c1-10-13(11-6-3-2-4-7-11)17-14(18-15(10)19)12-8-5-9-16-12/h2-4,6-7,12,16H,5,8-9H2,1H3,(H,17,18,19)
InChIKeySIPNGGVNAKVTOI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.17
Rot. Bonds2

About 5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one

5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one (PubChem CID 136764448) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
PubChem CID136764448
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(C2CCCN2)[nH]c1=O
InChIInChI=1S/C15H17N3O/c1-10-13(11-6-3-2-4-7-11)17-14(18-15(10)19)12-8-5-9-16-12/h2-4,6-7,12,16H,5,8-9H2,1H3,(H,17,18,19)
InChIKeySIPNGGVNAKVTOI-UHFFFAOYSA-N
XLogP2.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole
CID 43650699
4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770175
2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 67174564
(3S)-3-[(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]azepan-2-one
CID 136675126
5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
CID 137000220
2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136691781
2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one
CID 126482517
4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 25219064
2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine
CID 61335496
5-methyl-2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753934
5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136764386
2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764381

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one (CID 136764448) is 5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one is Cc1c(-c2ccccc2)nc(C2CCCN2)[nH]c1=O.
What is the InChIKey of 5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The InChIKey is SIPNGGVNAKVTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-13(11-6-3-2-4-7-11)17-14(18-15(10)19)12-8-5-9-16-12/h2-4,6-7,12,16H,5,8-9H2,1H3,(H,17,18,19).
What are the key properties of 5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one has a molecular weight of 255.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).