N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide

C10H12F3N3O — CID 175063505

IUPACN,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H12F3N3O/c1-3-16(4-2)8(17)7-5-14-9(15-6-7)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyAILPTGFCHMSFTA-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.98
Rot. Bonds3

About N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide

N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 175063505) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID175063505
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H12F3N3O/c1-3-16(4-2)8(17)7-5-14-9(15-6-7)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyAILPTGFCHMSFTA-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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Related Compounds

Pyrimidine-5-carboxamide
CID 351819
2-(Trifluoromethyl)pyrimidine-5-carboxamide
CID 68423044
2-(Dimethylamino)-5-pyrimidinecarbaldehyde
CID 795544
Pyrimidine, 5-carbamoyl-2-methylamino-
CID 69179728
2-Methylpyrimidine-5-carbaldehyde
CID 3160970
2-Aminopyrimidine-5-carboxamide
CID 254895
4-Amino-2-methylpyrimidine-5-carboxamide
CID 320019
2-Propylpyrimidine-5-carbaldehyde
CID 3160972
2-Isopropyl-5-pyrimidinecarbaldehyde
CID 3160974
2-tert-Butylpyrimidine-5-carbaldehyde
CID 11205960
1-(2-(Trifluoromethyl)pyrimidin-5-yl)ethanone
CID 82404282
N-Propyl-2-(pyrrolidin-1-YL)pyrimidine-5-carboxamide
CID 6625249

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 175063505) is N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is AILPTGFCHMSFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-3-16(4-2)8(17)7-5-14-9(15-6-7)10(11,12)13/h5-6H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-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-5-carboxamide is sourced from PubChem (CID 175063505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).