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

C8H8F3N3O2 — CID 53404824

IUPACN-methoxy-N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCON(C)C(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O2/c1-14(16-2)6(15)5-3-4-12-7(13-5)8(9,10)11/h3-4H,1-2H3
InChIKeyAOWRRSBJOZBUFW-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.13
Rot. Bonds2

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

N-methoxy-N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 53404824) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID53404824
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC NameN-methoxy-N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCON(C)C(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O2/c1-14(16-2)6(15)5-3-4-12-7(13-5)8(9,10)11/h3-4H,1-2H3
InChIKeyAOWRRSBJOZBUFW-UHFFFAOYSA-N
XLogP1.13
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-methoxy-N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 53404824) is N-methoxy-N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide is CON(C)C(=O)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of N-methoxy-N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is AOWRRSBJOZBUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-14(16-2)6(15)5-3-4-12-7(13-5)8(9,10)11/h3-4H,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
N-methoxy-N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 235.16 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 53404824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).