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

C14H22FN3O — CID 71106765

IUPACN-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide
SMILESCCCC(=O)N(c1ncc(F)c(CC)n1)C(C)CC
InChIInChI=1S/C14H22FN3O/c1-5-8-13(19)18(10(4)6-2)14-16-9-11(15)12(7-3)17-14/h9-10H,5-8H2,1-4H3
InChIKeyYQNXYDOLRKLMJU-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.11
Rot. Bonds6

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

N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide (PubChem CID 71106765) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide
PubChem CID71106765
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide
SMILESCCCC(=O)N(c1ncc(F)c(CC)n1)C(C)CC
InChIInChI=1S/C14H22FN3O/c1-5-8-13(19)18(10(4)6-2)14-16-9-11(15)12(7-3)17-14/h9-10H,5-8H2,1-4H3
InChIKeyYQNXYDOLRKLMJU-UHFFFAOYSA-N
XLogP3.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide?
The IUPAC name of N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide (CID 71106765) is N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide.
What is the SMILES notation for N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide?
The canonical SMILES for N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide is CCCC(=O)N(c1ncc(F)c(CC)n1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide?
The InChIKey is YQNXYDOLRKLMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-5-8-13(19)18(10(4)6-2)14-16-9-11(15)12(7-3)17-14/h9-10H,5-8H2,1-4H3.
What are the key properties of N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide?
N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide has a molecular weight of 267.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide is sourced from PubChem (CID 71106765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).