N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

C15H13F3N4O — CID 109247396

IUPACN-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)11-3-1-2-4-12(11)22-14-19-7-9(8-20-14)13(23)21-10-5-6-10/h1-4,7-8,10H,5-6H2,(H,21,23)(H,19,20,22)
InChIKeyJWVQLHNRMVVMHO-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.13
Rot. Bonds4

About N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 109247396) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
PubChem CID109247396
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC NameN-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)11-3-1-2-4-12(11)22-14-19-7-9(8-20-14)13(23)21-10-5-6-10/h1-4,7-8,10H,5-6H2,(H,21,23)(H,19,20,22)
InChIKeyJWVQLHNRMVVMHO-UHFFFAOYSA-N
XLogP3.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109295853
2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249844
N-(3-methoxypropyl)-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109251794
N-cyclopentyl-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109182289
6-N-cyclopropyl-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093944
2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270003
methyl 2-[[5-(cycloheptylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109263144
N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109250365
N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide
CID 109250437
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109263138
2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270001
N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109263129

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (CID 109247396) is N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is O=C(NC1CC1)c1cnc(Nc2ccccc2C(F)(F)F)nc1.
What is the InChIKey of N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is JWVQLHNRMVVMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c16-15(17,18)11-3-1-2-4-12(11)22-14-19-7-9(8-20-14)13(23)21-10-5-6-10/h1-4,7-8,10H,5-6H2,(H,21,23)(H,19,20,22).
What are the key properties of N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 322.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109247396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).