5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one

C12H17N3O2 — CID 126857595

IUPAC5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one
SMILESCc1cncn(C2CCN(C(C)C)C2=O)c1=O
InChIInChI=1S/C12H17N3O2/c1-8(2)14-5-4-10(12(14)17)15-7-13-6-9(3)11(15)16/h6-8,10H,4-5H2,1-3H3
InChIKeyLNLPJLZXDPTBNC-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.73
Rot. Bonds2

About 5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one

5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one (PubChem CID 126857595) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one
PubChem CID126857595
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one
SMILESCc1cncn(C2CCN(C(C)C)C2=O)c1=O
InChIInChI=1S/C12H17N3O2/c1-8(2)14-5-4-10(12(14)17)15-7-13-6-9(3)11(15)16/h6-8,10H,4-5H2,1-3H3
InChIKeyLNLPJLZXDPTBNC-UHFFFAOYSA-N
XLogP0.73
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one?
The IUPAC name of 5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one (CID 126857595) is 5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one is Cc1cncn(C2CCN(C(C)C)C2=O)c1=O.
What is the InChIKey of 5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one?
The InChIKey is LNLPJLZXDPTBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(2)14-5-4-10(12(14)17)15-7-13-6-9(3)11(15)16/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one?
5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one has a molecular weight of 235.29 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-one is sourced from PubChem (CID 126857595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).