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

C9H8F3N3O — CID 130318031

IUPAC2-ethenyl-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESC=Cc1ncc(C(=O)NC)c(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N3O/c1-3-6-14-4-5(8(16)13-2)7(15-6)9(10,11)12/h3-4H,1H2,2H3,(H,13,16)
InChIKeySWODHTWILLCIBJ-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.50
Rot. Bonds2

About 2-ethenyl-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-ethenyl-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 130318031) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 2-ethenyl-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethenyl-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID130318031
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name2-ethenyl-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESC=Cc1ncc(C(=O)NC)c(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N3O/c1-3-6-14-4-5(8(16)13-2)7(15-6)9(10,11)12/h3-4H,1H2,2H3,(H,13,16)
InChIKeySWODHTWILLCIBJ-UHFFFAOYSA-N
XLogP1.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-(methylamino)pyrimidine-5-carboxamide
CID 129930559
5H,6H-pyrido(4,3-d)pyrimidin-5-one
CID 12624212
2-amino-N-[cis-3-(2-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 136664831
N-(2-methoxyethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 44615903
2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide
CID 46345475
2,4-Dimethylpyrimidine-5-carbaldehyde
CID 23398557
2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid butylamide
CID 10850430
N,N-dimethyl-2-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 44320580
2-[(3-Methyl-2,5-dioxopyrrol-1-yl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 44320581
2,4-dimethyl-N'-propan-2-ylpyrimidine-5-carbohydrazide
CID 90679865
4-(difluoromethyl)-2-methoxy-N-(2-sulfanylethyl)pyrimidine-5-carboxamide
CID 177680048
2-Amino-4-methylpyrimidine-5-carboxamide
CID 18986589

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-ethenyl-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 130318031) is 2-ethenyl-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethenyl-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethenyl-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is C=Cc1ncc(C(=O)NC)c(C(F)(F)F)n1.
What is the InChIKey of 2-ethenyl-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is SWODHTWILLCIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-3-6-14-4-5(8(16)13-2)7(15-6)9(10,11)12/h3-4H,1H2,2H3,(H,13,16).
What are the key properties of 2-ethenyl-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-ethenyl-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 231.18 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 130318031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).