2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine

C11H19N3 — CID 63550016

IUPAC2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine
SMILESCCC(N)C(C)c1nc(C)cc(C)n1
InChIInChI=1S/C11H19N3/c1-5-10(12)9(4)11-13-7(2)6-8(3)14-11/h6,9-10H,5,12H2,1-4H3
InChIKeyCALIOTPURFRXQR-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.93
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine

2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine (PubChem CID 63550016) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine
PubChem CID63550016
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine
SMILESCCC(N)C(C)c1nc(C)cc(C)n1
InChIInChI=1S/C11H19N3/c1-5-10(12)9(4)11-13-7(2)6-8(3)14-11/h6,9-10H,5,12H2,1-4H3
InChIKeyCALIOTPURFRXQR-UHFFFAOYSA-N
XLogP1.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine 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-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine (CID 63550016) is 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine is CCC(N)C(C)c1nc(C)cc(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine?
The InChIKey is CALIOTPURFRXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-10(12)9(4)11-13-7(2)6-8(3)14-11/h6,9-10H,5,12H2,1-4H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine?
2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine has a molecular weight of 193.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine is sourced from PubChem (CID 63550016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).