4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide

C9H10F3N3O2 — CID 162556370

IUPAC4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide
SMILESNC(=O)CCCOc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)6-4-8(15-5-14-6)17-3-1-2-7(13)16/h4-5H,1-3H2,(H2,13,16)
InChIKeyKSAAVMAHAJLQOK-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.14
Rot. Bonds5

About 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide

4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide (PubChem CID 162556370) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide.

Molecular Properties

Compound Name4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide
PubChem CID162556370
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide
SMILESNC(=O)CCCOc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)6-4-8(15-5-14-6)17-3-1-2-7(13)16/h4-5H,1-3H2,(H2,13,16)
InChIKeyKSAAVMAHAJLQOK-UHFFFAOYSA-N
XLogP1.14
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide?
The IUPAC name of 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide (CID 162556370) is 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide.
What is the SMILES notation for 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide?
The canonical SMILES for 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide is NC(=O)CCCOc1cc(C(F)(F)F)ncn1.
What is the InChIKey of 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide?
The InChIKey is KSAAVMAHAJLQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)6-4-8(15-5-14-6)17-3-1-2-7(13)16/h4-5H,1-3H2,(H2,13,16).
What are the key properties of 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide?
4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide has a molecular weight of 249.19 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxybutanamide is sourced from PubChem (CID 162556370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).