4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one

C9H11N3O — CID 115529931

IUPAC4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one
SMILESCc1nccc(C2CNC(=O)C2)n1
InChIInChI=1S/C9H11N3O/c1-6-10-3-2-8(12-6)7-4-9(13)11-5-7/h2-3,7H,4-5H2,1H3,(H,11,13)
InChIKeyDPIVIABLIWRKFV-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.39
Rot. Bonds1

About 4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one

4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one (PubChem CID 115529931) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one
PubChem CID115529931
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one
SMILESCc1nccc(C2CNC(=O)C2)n1
InChIInChI=1S/C9H11N3O/c1-6-10-3-2-8(12-6)7-4-9(13)11-5-7/h2-3,7H,4-5H2,1H3,(H,11,13)
InChIKeyDPIVIABLIWRKFV-UHFFFAOYSA-N
XLogP0.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one (CID 115529931) is 4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one is Cc1nccc(C2CNC(=O)C2)n1.
What is the InChIKey of 4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one?
The InChIKey is DPIVIABLIWRKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-10-3-2-8(12-6)7-4-9(13)11-5-7/h2-3,7H,4-5H2,1H3,(H,11,13).
What are the key properties of 4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one?
4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one has a molecular weight of 177.21 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrimidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 115529931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).