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

C19H34FN3 — CID 71106928

IUPACN-butyl-4-ethyl-5-fluoro-N-nonan-5-ylpyrimidin-2-amine
SMILESCCCCC(CCCC)N(CCCC)c1ncc(F)c(CC)n1
InChIInChI=1S/C19H34FN3/c1-5-9-12-16(13-10-6-2)23(14-11-7-3)19-21-15-17(20)18(8-4)22-19/h15-16H,5-14H2,1-4H3
InChIKeyIOZWQUCIXPFFOR-UHFFFAOYSA-N
MW323.50 g/mol
LogP5.53
Rot. Bonds12

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

N-butyl-4-ethyl-5-fluoro-N-nonan-5-ylpyrimidin-2-amine (PubChem CID 71106928) has the molecular formula C19H34FN3 and a molecular weight of 323.50 g/mol. Its IUPAC name is N-butyl-4-ethyl-5-fluoro-N-nonan-5-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-ethyl-5-fluoro-N-nonan-5-ylpyrimidin-2-amine
PubChem CID71106928
Molecular FormulaC19H34FN3
Molecular Weight323.50 g/mol
Exact Mass323.27
IUPAC NameN-butyl-4-ethyl-5-fluoro-N-nonan-5-ylpyrimidin-2-amine
SMILESCCCCC(CCCC)N(CCCC)c1ncc(F)c(CC)n1
InChIInChI=1S/C19H34FN3/c1-5-9-12-16(13-10-6-2)23(14-11-7-3)19-21-15-17(20)18(8-4)22-19/h15-16H,5-14H2,1-4H3
InChIKeyIOZWQUCIXPFFOR-UHFFFAOYSA-N
XLogP5.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.50
LogP ≤ 55.53
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-nonan-5-ylpyrimidin-2-amine?
The IUPAC name of N-butyl-4-ethyl-5-fluoro-N-nonan-5-ylpyrimidin-2-amine (CID 71106928) is N-butyl-4-ethyl-5-fluoro-N-nonan-5-ylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-ethyl-5-fluoro-N-nonan-5-ylpyrimidin-2-amine?
The canonical SMILES for N-butyl-4-ethyl-5-fluoro-N-nonan-5-ylpyrimidin-2-amine is CCCCC(CCCC)N(CCCC)c1ncc(F)c(CC)n1.
What is the InChIKey of N-butyl-4-ethyl-5-fluoro-N-nonan-5-ylpyrimidin-2-amine?
The InChIKey is IOZWQUCIXPFFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34FN3/c1-5-9-12-16(13-10-6-2)23(14-11-7-3)19-21-15-17(20)18(8-4)22-19/h15-16H,5-14H2,1-4H3.
What are the key properties of N-butyl-4-ethyl-5-fluoro-N-nonan-5-ylpyrimidin-2-amine?
N-butyl-4-ethyl-5-fluoro-N-nonan-5-ylpyrimidin-2-amine has a molecular weight of 323.50 g/mol, XLogP of 5.53, 12 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-nonan-5-ylpyrimidin-2-amine is sourced from PubChem (CID 71106928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).