N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide

C17H28FN3O — CID 71107598

IUPACN-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide
SMILESCCCC(=O)N(c1ncc(F)c(CC)n1)C(CCC)CCC
InChIInChI=1S/C17H28FN3O/c1-5-9-13(10-6-2)21(16(22)11-7-3)17-19-12-14(18)15(8-4)20-17/h12-13H,5-11H2,1-4H3
InChIKeyFHPYDXQIQNXYOU-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.28
Rot. Bonds9

About N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide

N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide (PubChem CID 71107598) has the molecular formula C17H28FN3O and a molecular weight of 309.43 g/mol. Its IUPAC name is N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide.

Molecular Properties

Compound NameN-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide
PubChem CID71107598
Molecular FormulaC17H28FN3O
Molecular Weight309.43 g/mol
Exact Mass309.22
IUPAC NameN-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide
SMILESCCCC(=O)N(c1ncc(F)c(CC)n1)C(CCC)CCC
InChIInChI=1S/C17H28FN3O/c1-5-9-13(10-6-2)21(16(22)11-7-3)17-19-12-14(18)15(8-4)20-17/h12-13H,5-11H2,1-4H3
InChIKeyFHPYDXQIQNXYOU-UHFFFAOYSA-N
XLogP4.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide?
The IUPAC name of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide (CID 71107598) is N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide.
What is the SMILES notation for N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide?
The canonical SMILES for N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide is CCCC(=O)N(c1ncc(F)c(CC)n1)C(CCC)CCC.
What is the InChIKey of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide?
The InChIKey is FHPYDXQIQNXYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3O/c1-5-9-13(10-6-2)21(16(22)11-7-3)17-19-12-14(18)15(8-4)20-17/h12-13H,5-11H2,1-4H3.
What are the key properties of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide?
N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide has a molecular weight of 309.43 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-ylbutanamide is sourced from PubChem (CID 71107598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).