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

C17H28FN3O — CID 18735979

IUPACN-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-pentan-2-ylbutanamide
SMILESCCCC(C)N(C(=O)CC(C)(C)C)c1ncc(F)c(CC)n1
InChIInChI=1S/C17H28FN3O/c1-7-9-12(3)21(15(22)10-17(4,5)6)16-19-11-13(18)14(8-2)20-16/h11-12H,7-10H2,1-6H3
InChIKeyAQZVTNUWXCZUSI-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.14
Rot. Bonds6

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

N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-pentan-2-ylbutanamide (PubChem CID 18735979) 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)-3,3-dimethyl-N-pentan-2-ylbutanamide.

Molecular Properties

Compound NameN-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-pentan-2-ylbutanamide
PubChem CID18735979
Molecular FormulaC17H28FN3O
Molecular Weight309.43 g/mol
Exact Mass309.22
IUPAC NameN-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-pentan-2-ylbutanamide
SMILESCCCC(C)N(C(=O)CC(C)(C)C)c1ncc(F)c(CC)n1
InChIInChI=1S/C17H28FN3O/c1-7-9-12(3)21(15(22)10-17(4,5)6)16-19-11-13(18)14(8-2)20-16/h11-12H,7-10H2,1-6H3
InChIKeyAQZVTNUWXCZUSI-UHFFFAOYSA-N
XLogP4.14
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.14
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)-3,3-dimethyl-N-pentan-2-ylbutanamide?
The IUPAC name of N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-pentan-2-ylbutanamide (CID 18735979) is N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-pentan-2-ylbutanamide.
What is the SMILES notation for N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-pentan-2-ylbutanamide?
The canonical SMILES for N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-pentan-2-ylbutanamide is CCCC(C)N(C(=O)CC(C)(C)C)c1ncc(F)c(CC)n1.
What is the InChIKey of N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-pentan-2-ylbutanamide?
The InChIKey is AQZVTNUWXCZUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3O/c1-7-9-12(3)21(15(22)10-17(4,5)6)16-19-11-13(18)14(8-2)20-16/h11-12H,7-10H2,1-6H3.
What are the key properties of N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-pentan-2-ylbutanamide?
N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-pentan-2-ylbutanamide has a molecular weight of 309.43 g/mol, XLogP of 4.14, 6 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)-3,3-dimethyl-N-pentan-2-ylbutanamide is sourced from PubChem (CID 18735979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).