5-(aminomethyl)-1-cyclobutylpyrimidin-4-one

C9H13N3O — CID 115114536

IUPAC5-(aminomethyl)-1-cyclobutylpyrimidin-4-one
SMILESNCc1cn(C2CCC2)cnc1=O
InChIInChI=1S/C9H13N3O/c10-4-7-5-12(6-11-9(7)13)8-2-1-3-8/h5-6,8H,1-4,10H2
InChIKeyXUDUGSZDFWKRIP-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.43
Rot. Bonds2

About 5-(aminomethyl)-1-cyclobutylpyrimidin-4-one

5-(aminomethyl)-1-cyclobutylpyrimidin-4-one (PubChem CID 115114536) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-(aminomethyl)-1-cyclobutylpyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-cyclobutylpyrimidin-4-one
PubChem CID115114536
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-(aminomethyl)-1-cyclobutylpyrimidin-4-one
SMILESNCc1cn(C2CCC2)cnc1=O
InChIInChI=1S/C9H13N3O/c10-4-7-5-12(6-11-9(7)13)8-2-1-3-8/h5-6,8H,1-4,10H2
InChIKeyXUDUGSZDFWKRIP-UHFFFAOYSA-N
XLogP0.43
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-1-cyclobutylpyrimidin-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 5-(aminomethyl)-1-cyclobutylpyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-cyclobutylpyrimidin-4-one (CID 115114536) is 5-(aminomethyl)-1-cyclobutylpyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-cyclobutylpyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-cyclobutylpyrimidin-4-one is NCc1cn(C2CCC2)cnc1=O.
What is the InChIKey of 5-(aminomethyl)-1-cyclobutylpyrimidin-4-one?
The InChIKey is XUDUGSZDFWKRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-4-7-5-12(6-11-9(7)13)8-2-1-3-8/h5-6,8H,1-4,10H2.
What are the key properties of 5-(aminomethyl)-1-cyclobutylpyrimidin-4-one?
5-(aminomethyl)-1-cyclobutylpyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-cyclobutylpyrimidin-4-one is sourced from PubChem (CID 115114536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).