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

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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).