N-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine

C15H26FN3 — CID 71106703

IUPACN-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine
SMILESCCCCN(c1ncc(F)c(CC)n1)C(C)CCC
InChIInChI=1S/C15H26FN3/c1-5-8-10-19(12(4)9-6-2)15-17-11-13(16)14(7-3)18-15/h11-12H,5-10H2,1-4H3
InChIKeyFNUFMGXHQZULFR-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.97
Rot. Bonds8

About N-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine

N-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine (PubChem CID 71106703) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is N-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine
PubChem CID71106703
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC NameN-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine
SMILESCCCCN(c1ncc(F)c(CC)n1)C(C)CCC
InChIInChI=1S/C15H26FN3/c1-5-8-10-19(12(4)9-6-2)15-17-11-13(16)14(7-3)18-15/h11-12H,5-10H2,1-4H3
InChIKeyFNUFMGXHQZULFR-UHFFFAOYSA-N
XLogP3.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.97
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-5-fluoro-N-pentan-2-ylpyrimidin-2-amine?
The IUPAC name of N-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine (CID 71106703) is N-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine is CCCCN(c1ncc(F)c(CC)n1)C(C)CCC.
What is the InChIKey of N-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine?
The InChIKey is FNUFMGXHQZULFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3/c1-5-8-10-19(12(4)9-6-2)15-17-11-13(16)14(7-3)18-15/h11-12H,5-10H2,1-4H3.
What are the key properties of N-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine?
N-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine has a molecular weight of 267.39 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 71106703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).