N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

C21H20N4O2 — CID 109259588

IUPACN-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(NCCc3ccccc3)nc2)cc1
InChIInChI=1S/C21H20N4O2/c1-15(26)17-7-9-19(10-8-17)25-20(27)18-13-23-21(24-14-18)22-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyIVXCLEXDVKPIIQ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.59
Rot. Bonds7

About N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109259588) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109259588
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(NCCc3ccccc3)nc2)cc1
InChIInChI=1S/C21H20N4O2/c1-15(26)17-7-9-19(10-8-17)25-20(27)18-13-23-21(24-14-18)22-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyIVXCLEXDVKPIIQ-UHFFFAOYSA-N
XLogP3.59
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259587
2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109259586
N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259606
N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259537
N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 109262706
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260172
N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557
N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253599
5-N-(4-acetylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106239

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (CID 109259588) is N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is CC(=O)c1ccc(NC(=O)c2cnc(NCCc3ccccc3)nc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is IVXCLEXDVKPIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15(26)17-7-9-19(10-8-17)25-20(27)18-13-23-21(24-14-18)22-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,25,27)(H,22,23,24).
What are the key properties of N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).