N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

C21H20N4O2 — CID 109259587

IUPACN-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(NCCc3ccccc3)nc2)c1
InChIInChI=1S/C21H20N4O2/c1-15(26)17-8-5-9-19(12-17)25-20(27)18-13-23-21(24-14-18)22-11-10-16-6-3-2-4-7-16/h2-9,12-14H,10-11H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyBBMLFZJJSDBKLG-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.59
Rot. Bonds7

About N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109259587) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109259587
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(NCCc3ccccc3)nc2)c1
InChIInChI=1S/C21H20N4O2/c1-15(26)17-8-5-9-19(12-17)25-20(27)18-13-23-21(24-14-18)22-11-10-16-6-3-2-4-7-16/h2-9,12-14H,10-11H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyBBMLFZJJSDBKLG-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-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260172
N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259537
N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259588
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259606
N-(3-acetylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283988
N-(3-acetylphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160811
3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055307
N-(3-acetamidophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158260
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109259586

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (CID 109259587) is N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is CC(=O)c1cccc(NC(=O)c2cnc(NCCc3ccccc3)nc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is BBMLFZJJSDBKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15(26)17-8-5-9-19(12-17)25-20(27)18-13-23-21(24-14-18)22-11-10-16-6-3-2-4-7-16/h2-9,12-14H,10-11H2,1H3,(H,25,27)(H,22,23,24).
What are the key properties of N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
N-(3-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-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).