N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-3-ylbutanamide

C15H24FN3O — CID 71107274

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

About N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-3-ylbutanamide

N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-3-ylbutanamide (PubChem CID 71107274) 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-3-ylbutanamide.

Molecular Properties

Compound NameN-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-3-ylbutanamide
PubChem CID71107274
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC NameN-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-3-ylbutanamide
SMILESCCCC(=O)N(c1ncc(F)c(CC)n1)C(CC)CC
InChIInChI=1S/C15H24FN3O/c1-5-9-14(20)19(11(6-2)7-3)15-17-10-12(16)13(8-4)18-15/h10-11H,5-9H2,1-4H3
InChIKeySRKLKVTWELZRDC-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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Related Compounds

2,4-Diethyl-5-fluoropyrimidine
CID 132229551
N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
1-[4-(5-Methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 73440412
1-(7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-3,3-dimethylbutan-1-one
CID 72719372
N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide
CID 124754240
N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 138036984
N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide
CID 18735649
N-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine
CID 18735764
N-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine
CID 18735766
N-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine
CID 18735767
N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-pentan-2-ylbutanamide
CID 18735979
N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-2-yl-3,3-dimethylbutanamide
CID 18735980

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-3-ylbutanamide?
The IUPAC name of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-3-ylbutanamide (CID 71107274) is N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-3-ylbutanamide.
What is the SMILES notation for N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-3-ylbutanamide?
The canonical SMILES for N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-3-ylbutanamide is CCCC(=O)N(c1ncc(F)c(CC)n1)C(CC)CC.
What is the InChIKey of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-3-ylbutanamide?
The InChIKey is SRKLKVTWELZRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-5-9-14(20)19(11(6-2)7-3)15-17-10-12(16)13(8-4)18-15/h10-11H,5-9H2,1-4H3.
What are the key properties of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-3-ylbutanamide?
N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-3-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-3-ylbutanamide is sourced from PubChem (CID 71107274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).