6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one

C12H19N3O — CID 62479075

IUPAC6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCCC2CCCN2)cn1
InChIInChI=1S/C12H19N3O/c1-10-8-12(16)15(9-14-10)7-3-5-11-4-2-6-13-11/h8-9,11,13H,2-7H2,1H3
InChIKeyLKHBKRDTQQYOEI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.08
Rot. Bonds4

About 6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one

6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one (PubChem CID 62479075) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one
PubChem CID62479075
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCCC2CCCN2)cn1
InChIInChI=1S/C12H19N3O/c1-10-8-12(16)15(9-14-10)7-3-5-11-4-2-6-13-11/h8-9,11,13H,2-7H2,1H3
InChIKeyLKHBKRDTQQYOEI-UHFFFAOYSA-N
XLogP1.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one?
The IUPAC name of 6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one (CID 62479075) is 6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one is Cc1cc(=O)n(CCCC2CCCN2)cn1.
What is the InChIKey of 6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one?
The InChIKey is LKHBKRDTQQYOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-8-12(16)15(9-14-10)7-3-5-11-4-2-6-13-11/h8-9,11,13H,2-7H2,1H3.
What are the key properties of 6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one?
6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one is sourced from PubChem (CID 62479075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).