N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

C15H13F3N4O — CID 109295853

IUPACN-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)10-3-1-2-4-11(10)21-14-19-8-7-12(22-14)13(23)20-9-5-6-9/h1-4,7-9H,5-6H2,(H,20,23)(H,19,21,22)
InChIKeyCWROGMWTXCXHRU-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.13
Rot. Bonds4

About N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 109295853) 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-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID109295853
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC NameN-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)10-3-1-2-4-11(10)21-14-19-8-7-12(22-14)13(23)20-9-5-6-9/h1-4,7-9H,5-6H2,(H,20,23)(H,19,21,22)
InChIKeyCWROGMWTXCXHRU-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

6-N-cyclopropyl-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093944
N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109247396
2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide
CID 109295903
pyrrolidin-1-yl-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109297787
N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109298132
(3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109312815
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109299566
N-cyclopentyl-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109182289
(4-ethylpiperazin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109302632
ethyl 2-[[4-(cycloheptylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109311613
2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide
CID 109295859
N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109295850

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 109295853) is N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is O=C(NC1CC1)c1ccnc(Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is CWROGMWTXCXHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c16-15(17,18)10-3-1-2-4-11(10)21-14-19-8-7-12(22-14)13(23)20-9-5-6-9/h1-4,7-9H,5-6H2,(H,20,23)(H,19,21,22).
What are the key properties of N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-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-4-carboxamide is sourced from PubChem (CID 109295853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).