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

C15H24FN3O — CID 71107596

IUPACN-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-2-ylbutanamide
SMILESCCCC(=O)N(c1ncc(F)c(CC)n1)C(C)CCC
InChIInChI=1S/C15H24FN3O/c1-5-8-11(4)19(14(20)9-6-2)15-17-10-12(16)13(7-3)18-15/h10-11H,5-9H2,1-4H3
InChIKeyYVWDTLKJAWRNOL-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.50
Rot. Bonds7

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

N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-2-ylbutanamide (PubChem CID 71107596) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-2-ylbutanamide.

Molecular Properties

Compound NameN-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-2-ylbutanamide
PubChem CID71107596
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC NameN-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-2-ylbutanamide
SMILESCCCC(=O)N(c1ncc(F)c(CC)n1)C(C)CCC
InChIInChI=1S/C15H24FN3O/c1-5-8-11(4)19(14(20)9-6-2)15-17-10-12(16)13(7-3)18-15/h10-11H,5-9H2,1-4H3
InChIKeyYVWDTLKJAWRNOL-UHFFFAOYSA-N
XLogP3.50
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.50
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-pentan-2-ylbutanamide?
The IUPAC name of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-2-ylbutanamide (CID 71107596) is N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-2-ylbutanamide.
What is the SMILES notation for N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-2-ylbutanamide?
The canonical SMILES for N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-2-ylbutanamide is CCCC(=O)N(c1ncc(F)c(CC)n1)C(C)CCC.
What is the InChIKey of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-2-ylbutanamide?
The InChIKey is YVWDTLKJAWRNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-5-8-11(4)19(14(20)9-6-2)15-17-10-12(16)13(7-3)18-15/h10-11H,5-9H2,1-4H3.
What are the key properties of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-2-ylbutanamide?
N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-2-ylbutanamide has a molecular weight of 281.37 g/mol, XLogP of 3.50, 7 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-pentan-2-ylbutanamide is sourced from PubChem (CID 71107596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).