N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide

C8H8F3N3O — CID 143232156

IUPACN,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCN(C)C(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O/c1-14(2)6(15)5-3-4-12-7(13-5)8(9,10)11/h3-4H,1-2H3
InChIKeyOHMJYYUMEYVEAT-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.20
Rot. Bonds1

About N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide

N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 143232156) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID143232156
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC NameN,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCN(C)C(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O/c1-14(2)6(15)5-3-4-12-7(13-5)8(9,10)11/h3-4H,1-2H3
InChIKeyOHMJYYUMEYVEAT-UHFFFAOYSA-N
XLogP1.20
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 143232156) is N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide is CN(C)C(=O)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is OHMJYYUMEYVEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-14(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,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 219.17 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 143232156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).