6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

C9H10F3N3O2 — CID 91816289

IUPAC6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)NCC(F)(F)F)ncn1
InChIInChI=1S/C9H10F3N3O2/c1-2-17-7-3-6(14-5-15-7)8(16)13-4-9(10,11)12/h3,5H,2,4H2,1H3,(H,13,16)
InChIKeySOBAUQOQKZFUMM-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.17
Rot. Bonds4

About 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 91816289) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID91816289
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)NCC(F)(F)F)ncn1
InChIInChI=1S/C9H10F3N3O2/c1-2-17-7-3-6(14-5-15-7)8(16)13-4-9(10,11)12/h3,5H,2,4H2,1H3,(H,13,16)
InChIKeySOBAUQOQKZFUMM-UHFFFAOYSA-N
XLogP1.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 91816289) is 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is CCOc1cc(C(=O)NCC(F)(F)F)ncn1.
What is the InChIKey of 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is SOBAUQOQKZFUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-2-17-7-3-6(14-5-15-7)8(16)13-4-9(10,11)12/h3,5H,2,4H2,1H3,(H,13,16).
What are the key properties of 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 249.19 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91816289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).