N-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine

C17H31N3 — CID 71107039

IUPACN-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine
SMILESCCCCN(c1nccc(CC)n1)C(CCC)CCC
InChIInChI=1S/C17H31N3/c1-5-9-14-20(16(10-6-2)11-7-3)17-18-13-12-15(8-4)19-17/h12-13,16H,5-11,14H2,1-4H3
InChIKeyUYQGHTFWXXSQAW-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.61
Rot. Bonds10

About N-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine

N-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine (PubChem CID 71107039) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine
PubChem CID71107039
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine
SMILESCCCCN(c1nccc(CC)n1)C(CCC)CCC
InChIInChI=1S/C17H31N3/c1-5-9-14-20(16(10-6-2)11-7-3)17-18-13-12-15(8-4)19-17/h12-13,16H,5-11,14H2,1-4H3
InChIKeyUYQGHTFWXXSQAW-UHFFFAOYSA-N
XLogP4.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine?
The IUPAC name of N-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine (CID 71107039) is N-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine?
The canonical SMILES for N-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine is CCCCN(c1nccc(CC)n1)C(CCC)CCC.
What is the InChIKey of N-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine?
The InChIKey is UYQGHTFWXXSQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-9-14-20(16(10-6-2)11-7-3)17-18-13-12-15(8-4)19-17/h12-13,16H,5-11,14H2,1-4H3.
What are the key properties of N-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine?
N-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine has a molecular weight of 277.46 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-ethyl-N-heptan-4-ylpyrimidin-2-amine is sourced from PubChem (CID 71107039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).