N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

C19H15F3N4O2 — CID 109358939

IUPACN-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)cc1
InChIInChI=1S/C19H15F3N4O2/c1-28-15-7-5-13(6-8-15)26-18(27)16-10-17(24-11-23-16)25-14-4-2-3-12(9-14)19(20,21)22/h2-11H,1H3,(H,26,27)(H,23,24,25)
InChIKeyRPFDWBMDCUTVHF-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.50
Rot. Bonds5

About N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 109358939) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID109358939
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC NameN-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)cc1
InChIInChI=1S/C19H15F3N4O2/c1-28-15-7-5-13(6-8-15)26-18(27)16-10-17(24-11-23-16)25-14-4-2-3-12(9-14)19(20,21)22/h2-11H,1H3,(H,26,27)(H,23,24,25)
InChIKeyRPFDWBMDCUTVHF-UHFFFAOYSA-N
XLogP4.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358963
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
methyl 4-[[6-(4-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358901
6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358798
6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109357676
4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048972
N-(3-chloro-4-fluorophenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109358556
N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358617
N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109221654
6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358958

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 109358939) is N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is RPFDWBMDCUTVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-28-15-7-5-13(6-8-15)26-18(27)16-10-17(24-11-23-16)25-14-4-2-3-12(9-14)19(20,21)22/h2-11H,1H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109358939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).