2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

C19H12F3N5O — CID 109270003

IUPAC2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESN#Cc1ccccc1Nc1ncc(C(=O)Nc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C19H12F3N5O/c20-19(21,22)14-6-2-4-8-16(14)26-17(28)13-10-24-18(25-11-13)27-15-7-3-1-5-12(15)9-23/h1-8,10-11H,(H,26,28)(H,24,25,27)
InChIKeyRXPQHKSJBIHMQY-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.36
Rot. Bonds4

About 2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 109270003) has the molecular formula C19H12F3N5O and a molecular weight of 383.33 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
PubChem CID109270003
Molecular FormulaC19H12F3N5O
Molecular Weight383.33 g/mol
Exact Mass383.10
IUPAC Name2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESN#Cc1ccccc1Nc1ncc(C(=O)Nc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C19H12F3N5O/c20-19(21,22)14-6-2-4-8-16(14)26-17(28)13-10-24-18(25-11-13)27-15-7-3-1-5-12(15)9-23/h1-8,10-11H,(H,26,28)(H,24,25,27)
InChIKeyRXPQHKSJBIHMQY-UHFFFAOYSA-N
XLogP4.36
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268251
2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270001
N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109262949
2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266440
2-(4-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268313
N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109269101
2-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109257093
2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249844
N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269736
N-(2-cyanophenyl)-2-(trifluoromethyl)benzamide
CID 24695576
2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109255765
N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109247396

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (CID 109270003) is 2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is N#Cc1ccccc1Nc1ncc(C(=O)Nc2ccccc2C(F)(F)F)cn1.
What is the InChIKey of 2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is RXPQHKSJBIHMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O/c20-19(21,22)14-6-2-4-8-16(14)26-17(28)13-10-24-18(25-11-13)27-15-7-3-1-5-12(15)9-23/h1-8,10-11H,(H,26,28)(H,24,25,27).
What are the key properties of 2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 383.33 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109270003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).