N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide

C14H22FN3O — CID 71107006

IUPACN-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide
SMILESCCCCN(C(=O)CCC)c1ncc(F)c(CC)n1
InChIInChI=1S/C14H22FN3O/c1-4-7-9-18(13(19)8-5-2)14-16-10-11(15)12(6-3)17-14/h10H,4-9H2,1-3H3
InChIKeyBPBIJFLZAMTBHC-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.11
Rot. Bonds7

About N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide

N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide (PubChem CID 71107006) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide.

Molecular Properties

Compound NameN-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide
PubChem CID71107006
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide
SMILESCCCCN(C(=O)CCC)c1ncc(F)c(CC)n1
InChIInChI=1S/C14H22FN3O/c1-4-7-9-18(13(19)8-5-2)14-16-10-11(15)12(6-3)17-14/h10H,4-9H2,1-3H3
InChIKeyBPBIJFLZAMTBHC-UHFFFAOYSA-N
XLogP3.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.11
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)butanamide?
The IUPAC name of N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide (CID 71107006) is N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide.
What is the SMILES notation for N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide?
The canonical SMILES for N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide is CCCCN(C(=O)CCC)c1ncc(F)c(CC)n1.
What is the InChIKey of N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide?
The InChIKey is BPBIJFLZAMTBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-7-9-18(13(19)8-5-2)14-16-10-11(15)12(6-3)17-14/h10H,4-9H2,1-3H3.
What are the key properties of N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide?
N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide has a molecular weight of 267.35 g/mol, XLogP of 3.11, 7 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)butanamide is sourced from PubChem (CID 71107006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).