2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

C8H8F3N3O2 — CID 140802861

IUPAC2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(OC)nc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-12-6(15)4-3-13-7(16-2)14-5(4)8(9,10)11/h3H,1-2H3,(H,12,15)
InChIKeyIPMJXEWOYYZBSP-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.86
Rot. Bonds2

About 2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 140802861) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID140802861
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(OC)nc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-12-6(15)4-3-13-7(16-2)14-5(4)8(9,10)11/h3H,1-2H3,(H,12,15)
InChIKeyIPMJXEWOYYZBSP-UHFFFAOYSA-N
XLogP0.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 140802861) is 2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is CNC(=O)c1cnc(OC)nc1C(F)(F)F.
What is the InChIKey of 2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is IPMJXEWOYYZBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-12-6(15)4-3-13-7(16-2)14-5(4)8(9,10)11/h3H,1-2H3,(H,12,15).
What are the key properties of 2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 235.16 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 140802861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).