ethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide

C9H12F3N3O — CID 170580367

IUPACethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCC.CNC(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O.C2H6/c1-11-5(14)4-2-3-12-6(13-4)7(8,9)10;1-2/h2-3H,1H3,(H,11,14);1-2H3
InChIKeyJZXKKAZENXQBOA-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.88
Rot. Bonds1

About ethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide

ethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 170580367) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is ethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Nameethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID170580367
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Nameethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCC.CNC(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O.C2H6/c1-11-5(14)4-2-3-12-6(13-4)7(8,9)10;1-2/h2-3H,1H3,(H,11,14);1-2H3
InChIKeyJZXKKAZENXQBOA-UHFFFAOYSA-N
XLogP1.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of ethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 170580367) is ethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for ethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for ethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide is CC.CNC(=O)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of ethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is JZXKKAZENXQBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O.C2H6/c1-11-5(14)4-2-3-12-6(13-4)7(8,9)10;1-2/h2-3H,1H3,(H,11,14);1-2H3.
What are the key properties of ethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
ethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 235.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 170580367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).