N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide

C16H26FN3O — CID 18736132

IUPACN-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide
SMILESCCCCN(C(=O)CC(C)(C)C)c1ncc(F)c(CC)n1
InChIInChI=1S/C16H26FN3O/c1-6-8-9-20(14(21)10-16(3,4)5)15-18-11-12(17)13(7-2)19-15/h11H,6-10H2,1-5H3
InChIKeyCUZXLFYVNSJFKT-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.75
Rot. Bonds6

About N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide

N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide (PubChem CID 18736132) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide
PubChem CID18736132
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide
SMILESCCCCN(C(=O)CC(C)(C)C)c1ncc(F)c(CC)n1
InChIInChI=1S/C16H26FN3O/c1-6-8-9-20(14(21)10-16(3,4)5)15-18-11-12(17)13(7-2)19-15/h11H,6-10H2,1-5H3
InChIKeyCUZXLFYVNSJFKT-UHFFFAOYSA-N
XLogP3.75
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide (CID 18736132) is N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide is CCCCN(C(=O)CC(C)(C)C)c1ncc(F)c(CC)n1.
What is the InChIKey of N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide?
The InChIKey is CUZXLFYVNSJFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-6-8-9-20(14(21)10-16(3,4)5)15-18-11-12(17)13(7-2)19-15/h11H,6-10H2,1-5H3.
What are the key properties of N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide?
N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide has a molecular weight of 295.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 18736132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).