N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine

C15H27N3 — CID 79412386

IUPACN-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
SMILESCCCCc1nc(C)c(CCNC(C)C)c(C)n1
InChIInChI=1S/C15H27N3/c1-6-7-8-15-17-12(4)14(13(5)18-15)9-10-16-11(2)3/h11,16H,6-10H2,1-5H3
InChIKeyIMAKNSLUURRABH-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.98
Rot. Bonds7

About N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine

N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine (PubChem CID 79412386) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
PubChem CID79412386
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
SMILESCCCCc1nc(C)c(CCNC(C)C)c(C)n1
InChIInChI=1S/C15H27N3/c1-6-7-8-15-17-12(4)14(13(5)18-15)9-10-16-11(2)3/h11,16H,6-10H2,1-5H3
InChIKeyIMAKNSLUURRABH-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine (CID 79412386) is N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine is CCCCc1nc(C)c(CCNC(C)C)c(C)n1.
What is the InChIKey of N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine?
The InChIKey is IMAKNSLUURRABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-7-8-15-17-12(4)14(13(5)18-15)9-10-16-11(2)3/h11,16H,6-10H2,1-5H3.
What are the key properties of N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine?
N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 79412386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).