2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

C8H7ClF3N3O — CID 87369005

IUPAC2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(Cl)nc1C(F)(F)F
InChIInChI=1S/C8H7ClF3N3O/c1-2-13-6(16)4-3-14-7(9)15-5(4)8(10,11)12/h3H,2H2,1H3,(H,13,16)
InChIKeyMWEUVGGYGCJVEI-UHFFFAOYSA-N
MW253.61 g/mol
LogP1.90
Rot. Bonds2

About 2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 87369005) has the molecular formula C8H7ClF3N3O and a molecular weight of 253.61 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID87369005
Molecular FormulaC8H7ClF3N3O
Molecular Weight253.61 g/mol
Exact Mass253.02
IUPAC Name2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(Cl)nc1C(F)(F)F
InChIInChI=1S/C8H7ClF3N3O/c1-2-13-6(16)4-3-14-7(9)15-5(4)8(10,11)12/h3H,2H2,1H3,(H,13,16)
InChIKeyMWEUVGGYGCJVEI-UHFFFAOYSA-N
XLogP1.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
CID 2736708
2-chloro-N-(cyclopent-2-en-1-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 162579521
N-[3-(butylcarbamoyl)-5-(trifluoromethyl)phenyl]-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10528296
2-chloro-N-(4-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 2780354
N-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide
CID 143467103
[5-acetyl-4-(trifluoromethyl)pyrimidin-2-yl]azanide;azanide;2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride;1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]ethanone;bis(yttrium)
CID 159638802
1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]-N-(cyclohexylmethyl)ethenamine
CID 89010443
2-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10094871
N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 142421392
2-chloro-N-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 58801426
2-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 140802861
2-(3,5-dichloroanilino)-N-[(2-fluoro-4-pyridinyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10344217

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 87369005) is 2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is CCNC(=O)c1cnc(Cl)nc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is MWEUVGGYGCJVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O/c1-2-13-6(16)4-3-14-7(9)15-5(4)8(10,11)12/h3H,2H2,1H3,(H,13,16).
What are the key properties of 2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 253.61 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 87369005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).