3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine

C15H27N3 — CID 79412388

IUPAC3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
SMILESCCCCc1nc(C)c(CC(C)CNC)c(C)n1
InChIInChI=1S/C15H27N3/c1-6-7-8-15-17-12(3)14(13(4)18-15)9-11(2)10-16-5/h11,16H,6-10H2,1-5H3
InChIKeyYKIBVXUQIIZOEH-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.83
Rot. Bonds7

About 3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine

3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine (PubChem CID 79412388) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
PubChem CID79412388
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
SMILESCCCCc1nc(C)c(CC(C)CNC)c(C)n1
InChIInChI=1S/C15H27N3/c1-6-7-8-15-17-12(3)14(13(4)18-15)9-11(2)10-16-5/h11,16H,6-10H2,1-5H3
InChIKeyYKIBVXUQIIZOEH-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293588
N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
CID 79412386
2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 79412709
3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
CID 65293724
2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine
CID 79412272
3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 115347195
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745255
3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 65294013
3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293824
N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine
CID 65293875
3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine
CID 171831646
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62744572

Frequently Asked Questions

What is the IUPAC name of 3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine (CID 79412388) is 3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine is CCCCc1nc(C)c(CC(C)CNC)c(C)n1.
What is the InChIKey of 3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is YKIBVXUQIIZOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-7-8-15-17-12(3)14(13(4)18-15)9-11(2)10-16-5/h11,16H,6-10H2,1-5H3.
What are the key properties of 3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine?
3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 79412388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).