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

C7H6F3N3O — CID 22095086

IUPACN-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCNC(=O)c1cncnc1C(F)(F)F
InChIInChI=1S/C7H6F3N3O/c1-11-6(14)4-2-12-3-13-5(4)7(8,9)10/h2-3H,1H3,(H,11,14)
InChIKeyDUYXAXBJPZXMQL-UHFFFAOYSA-N
MW205.14 g/mol
LogP0.86
Rot. Bonds1

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

N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 22095086) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID22095086
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC NameN-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCNC(=O)c1cncnc1C(F)(F)F
InChIInChI=1S/C7H6F3N3O/c1-11-6(14)4-2-12-3-13-5(4)7(8,9)10/h2-3H,1H3,(H,11,14)
InChIKeyDUYXAXBJPZXMQL-UHFFFAOYSA-N
XLogP0.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 22095086) is N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is CNC(=O)c1cncnc1C(F)(F)F.
What is the InChIKey of N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is DUYXAXBJPZXMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c1-11-6(14)4-2-12-3-13-5(4)7(8,9)10/h2-3H,1H3,(H,11,14).
What are the key properties of N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 205.14 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 22095086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).