4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one

C16H18N4O2 — CID 136816533

IUPAC4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CCCN2C(=O)Cc2ccccn2)n1
InChIInChI=1S/C16H18N4O2/c1-11-9-14(21)19-16(18-11)13-6-4-8-20(13)15(22)10-12-5-2-3-7-17-12/h2-3,5,7,9,13H,4,6,8,10H2,1H3,(H,18,19,21)
InChIKeyFALSEEOIRQHNLC-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.38
Rot. Bonds3

About 4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one

4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one (PubChem CID 136816533) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
PubChem CID136816533
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CCCN2C(=O)Cc2ccccn2)n1
InChIInChI=1S/C16H18N4O2/c1-11-9-14(21)19-16(18-11)13-6-4-8-20(13)15(22)10-12-5-2-3-7-17-12/h2-3,5,7,9,13H,4,6,8,10H2,1H3,(H,18,19,21)
InChIKeyFALSEEOIRQHNLC-UHFFFAOYSA-N
XLogP1.38
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 135963718
2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860381
5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214720
1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 48997075
2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860375
4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136860377
2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136850203
8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618772
3-[3-[(2S)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 135963664
2-[(2R)-1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135963772
2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682307
2-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850480

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one (CID 136816533) is 4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C2CCCN2C(=O)Cc2ccccn2)n1.
What is the InChIKey of 4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is FALSEEOIRQHNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-9-14(21)19-16(18-11)13-6-4-8-20(13)15(22)10-12-5-2-3-7-17-12/h2-3,5,7,9,13H,4,6,8,10H2,1H3,(H,18,19,21).
What are the key properties of 4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 298.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136816533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).