4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one

C13H23N3O — CID 170420190

IUPAC4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one
SMILESCCCC(C)(CCC)n1cc(C)c(N)nc1=O
InChIInChI=1S/C13H23N3O/c1-5-7-13(4,8-6-2)16-9-10(3)11(14)15-12(16)17/h9H,5-8H2,1-4H3,(H2,14,15,17)
InChIKeyPFLIQHKHWKFZSL-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.45
Rot. Bonds5

About 4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one

4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one (PubChem CID 170420190) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one
PubChem CID170420190
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one
SMILESCCCC(C)(CCC)n1cc(C)c(N)nc1=O
InChIInChI=1S/C13H23N3O/c1-5-7-13(4,8-6-2)16-9-10(3)11(14)15-12(16)17/h9H,5-8H2,1-4H3,(H2,14,15,17)
InChIKeyPFLIQHKHWKFZSL-UHFFFAOYSA-N
XLogP2.45
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-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 4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one (CID 170420190) is 4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one is CCCC(C)(CCC)n1cc(C)c(N)nc1=O.
What is the InChIKey of 4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one?
The InChIKey is PFLIQHKHWKFZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-7-13(4,8-6-2)16-9-10(3)11(14)15-12(16)17/h9H,5-8H2,1-4H3,(H2,14,15,17).
What are the key properties of 4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one?
4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one is sourced from PubChem (CID 170420190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).