3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one

C9H13N3O — CID 71777777

IUPAC3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one
SMILESNCCn1cnc(C2CC2)cc1=O
InChIInChI=1S/C9H13N3O/c10-3-4-12-6-11-8(5-9(12)13)7-1-2-7/h5-7H,1-4,10H2
InChIKeyAOUGGEDLHZKVHJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.08
Rot. Bonds3

About 3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one

3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one (PubChem CID 71777777) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one
PubChem CID71777777
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one
SMILESNCCn1cnc(C2CC2)cc1=O
InChIInChI=1S/C9H13N3O/c10-3-4-12-6-11-8(5-9(12)13)7-1-2-7/h5-7H,1-4,10H2
InChIKeyAOUGGEDLHZKVHJ-UHFFFAOYSA-N
XLogP0.08
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-aminoethyl)-6-cyclopropylpyrimidin-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 3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one?
The IUPAC name of 3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one (CID 71777777) is 3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one.
What is the SMILES notation for 3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one?
The canonical SMILES for 3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one is NCCn1cnc(C2CC2)cc1=O.
What is the InChIKey of 3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one?
The InChIKey is AOUGGEDLHZKVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-3-4-12-6-11-8(5-9(12)13)7-1-2-7/h5-7H,1-4,10H2.
What are the key properties of 3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one?
3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-6-cyclopropylpyrimidin-4-one is sourced from PubChem (CID 71777777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).