4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one

C18H21N3O — CID 91759927

IUPAC4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one
SMILESCCc1cnc(C)nc1CC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H21N3O/c1-3-15-11-19-13(2)20-17(15)9-14-10-18(22)21(12-14)16-7-5-4-6-8-16/h4-8,11,14H,3,9-10,12H2,1-2H3
InChIKeyPIIAMXUPIWUUBH-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.94
Rot. Bonds4

About 4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one

4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one (PubChem CID 91759927) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one
PubChem CID91759927
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one
SMILESCCc1cnc(C)nc1CC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H21N3O/c1-3-15-11-19-13(2)20-17(15)9-14-10-18(22)21(12-14)16-7-5-4-6-8-16/h4-8,11,14H,3,9-10,12H2,1-2H3
InChIKeyPIIAMXUPIWUUBH-UHFFFAOYSA-N
XLogP2.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124757873
1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91784595
(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 124851229
4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
CID 91836308
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
(4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
CID 124754080
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one
CID 91840000
4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 91772946
4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 168662722
4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one
CID 91775988
(4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one
CID 124728087

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one (CID 91759927) is 4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one is CCc1cnc(C)nc1CC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is PIIAMXUPIWUUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-15-11-19-13(2)20-17(15)9-14-10-18(22)21(12-14)16-7-5-4-6-8-16/h4-8,11,14H,3,9-10,12H2,1-2H3.
What are the key properties of 4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one?
4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one has a molecular weight of 295.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 91759927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).