5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one

C13H20N2O — CID 178099576

IUPAC5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one
SMILESCCC(C)c1cncn(CC2CCC2)c1=O
InChIInChI=1S/C13H20N2O/c1-3-10(2)12-7-14-9-15(13(12)16)8-11-5-4-6-11/h7,9-11H,3-6,8H2,1-2H3
InChIKeyJVRKFPIMRAHXIY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.56
Rot. Bonds4

About 5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one

5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one (PubChem CID 178099576) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one
PubChem CID178099576
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one
SMILESCCC(C)c1cncn(CC2CCC2)c1=O
InChIInChI=1S/C13H20N2O/c1-3-10(2)12-7-14-9-15(13(12)16)8-11-5-4-6-11/h7,9-11H,3-6,8H2,1-2H3
InChIKeyJVRKFPIMRAHXIY-UHFFFAOYSA-N
XLogP2.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-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-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one (CID 178099576) is 5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one is CCC(C)c1cncn(CC2CCC2)c1=O.
What is the InChIKey of 5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one?
The InChIKey is JVRKFPIMRAHXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-10(2)12-7-14-9-15(13(12)16)8-11-5-4-6-11/h7,9-11H,3-6,8H2,1-2H3.
What are the key properties of 5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one?
5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one has a molecular weight of 220.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(cyclobutylmethyl)pyrimidin-4-one is sourced from PubChem (CID 178099576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).