2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

C20H17F3N4O — CID 109259586

IUPAC2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)16-6-8-17(9-7-16)27-18(28)15-12-25-19(26-13-15)24-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,27,28)(H,24,25,26)
InChIKeyNZXRGLCUTAIMRS-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.40
Rot. Bonds6

About 2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 109259586) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
PubChem CID109259586
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)16-6-8-17(9-7-16)27-18(28)15-12-25-19(26-13-15)24-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,27,28)(H,24,25,26)
InChIKeyNZXRGLCUTAIMRS-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259588
N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259606
4-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213710
N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 109262706
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259587
N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259537
N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259614
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (CID 109259586) is 2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(NCCc2ccccc2)nc1.
What is the InChIKey of 2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is NZXRGLCUTAIMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c21-20(22,23)16-6-8-17(9-7-16)27-18(28)15-12-25-19(26-13-15)24-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,27,28)(H,24,25,26).
What are the key properties of 2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109259586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).