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

C10H12F3N3O — CID 145266028

IUPACN,N-diethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-3-16(4-2)8(17)7-5-6-14-9(15-7)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyHDJHPYWADJPCLY-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.98
Rot. Bonds3

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

N,N-diethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 145266028) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N,N-diethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID145266028
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN,N-diethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-3-16(4-2)8(17)7-5-6-14-9(15-7)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyHDJHPYWADJPCLY-UHFFFAOYSA-N
XLogP1.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 145266028) is N,N-diethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide is CCN(CC)C(=O)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of N,N-diethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is HDJHPYWADJPCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-3-16(4-2)8(17)7-5-6-14-9(15-7)10(11,12)13/h5-6H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
N,N-diethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 247.22 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 145266028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).