2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide

C7H6F3N3O2 — CID 91528833

IUPAC2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCOc1nc(C(N)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O2/c1-15-6-12-3(5(11)14)2-4(13-6)7(8,9)10/h2H,1H3,(H2,11,14)
InChIKeyJGEPJPRRONGHCP-UHFFFAOYSA-N
MW221.14 g/mol
LogP0.60
Rot. Bonds2

About 2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide

2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 91528833) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is 2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID91528833
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCOc1nc(C(N)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O2/c1-15-6-12-3(5(11)14)2-4(13-6)7(8,9)10/h2H,1H3,(H2,11,14)
InChIKeyJGEPJPRRONGHCP-UHFFFAOYSA-N
XLogP0.60
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide (CID 91528833) is 2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide is COc1nc(C(N)=O)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is JGEPJPRRONGHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c1-15-6-12-3(5(11)14)2-4(13-6)7(8,9)10/h2H,1H3,(H2,11,14).
What are the key properties of 2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide?
2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 221.14 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91528833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).