N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

C20H17F3N4O — CID 109350612

IUPACN-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)15-6-8-16(9-7-15)27-18-12-17(25-13-26-18)19(28)24-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,24,28)(H,25,26,27)
InChIKeyAPXNYYKUZAHYQR-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.21
Rot. Bonds6

About N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 109350612) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID109350612
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)15-6-8-16(9-7-15)27-18-12-17(25-13-26-18)19(28)24-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,24,28)(H,25,26,27)
InChIKeyAPXNYYKUZAHYQR-UHFFFAOYSA-N
XLogP4.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350640
methyl 4-[[6-(2-phenylethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109350619
6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350623
6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353616
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352293
6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350581
N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109344651
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699
6-(2,3-dimethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350580
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
N-(2-phenylethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121694
N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109172217

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 109350612) is N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is O=C(NCCc1ccccc1)c1cc(Nc2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is APXNYYKUZAHYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c21-20(22,23)15-6-8-16(9-7-15)27-18-12-17(25-13-26-18)19(28)24-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,24,28)(H,25,26,27).
What are the key properties of N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109350612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).