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

C18H13F3N4O — CID 109313447

IUPAC2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)12-6-8-14(9-7-12)23-16(26)15-10-11-22-17(25-15)24-13-4-2-1-3-5-13/h1-11H,(H,23,26)(H,22,24,25)
InChIKeyYPLIPGLQVPDNLN-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.49
Rot. Bonds4

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

2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109313447) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109313447
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)12-6-8-14(9-7-12)23-16(26)15-10-11-22-17(25-15)24-13-4-2-1-3-5-13/h1-11H,(H,23,26)(H,22,24,25)
InChIKeyYPLIPGLQVPDNLN-UHFFFAOYSA-N
XLogP4.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
2-anilino-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109313456
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313546
N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109304137
5-anilino-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289577
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
N-(4-tert-butylphenyl)-2-(3,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109316431
N-(4-tert-butylphenyl)-2-(2-chloroanilino)pyrimidine-4-carboxamide
CID 109316409
2-(4-tert-butylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109316405

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109313447) is 2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is YPLIPGLQVPDNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-18(20,21)12-6-8-14(9-7-12)23-16(26)15-10-11-22-17(25-15)24-13-4-2-1-3-5-13/h1-11H,(H,23,26)(H,22,24,25).
What are the key properties of 2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109313447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).