2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one

C11H18N4O — CID 84687778

IUPAC2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
SMILESCC(N)c1nc(N2CCCC2)cc(=O)n1C
InChIInChI=1S/C11H18N4O/c1-8(12)11-13-9(7-10(16)14(11)2)15-5-3-4-6-15/h7-8H,3-6,12H2,1-2H3
InChIKeyCFKDWOSRKHTXSN-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.40
Rot. Bonds2

About 2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one

2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one (PubChem CID 84687778) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
PubChem CID84687778
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
SMILESCC(N)c1nc(N2CCCC2)cc(=O)n1C
InChIInChI=1S/C11H18N4O/c1-8(12)11-13-9(7-10(16)14(11)2)15-5-3-4-6-15/h7-8H,3-6,12H2,1-2H3
InChIKeyCFKDWOSRKHTXSN-UHFFFAOYSA-N
XLogP0.40
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
The IUPAC name of 2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one (CID 84687778) is 2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
The canonical SMILES for 2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one is CC(N)c1nc(N2CCCC2)cc(=O)n1C.
What is the InChIKey of 2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
The InChIKey is CFKDWOSRKHTXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(12)11-13-9(7-10(16)14(11)2)15-5-3-4-6-15/h7-8H,3-6,12H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 84687778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).