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

C21H21N5O2 — CID 109259590

IUPACN-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(NCCc3ccccc3)nc2)cc1
InChIInChI=1S/C21H21N5O2/c1-15(27)25-18-7-9-19(10-8-18)26-20(28)17-13-23-21(24-14-17)22-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,25,27)(H,26,28)(H,22,23,24)
InChIKeyYQYBYZRKKOTJMN-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.34
Rot. Bonds7

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

N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109259590) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109259590
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(NCCc3ccccc3)nc2)cc1
InChIInChI=1S/C21H21N5O2/c1-15(27)25-18-7-9-19(10-8-18)26-20(28)17-13-23-21(24-14-17)22-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,25,27)(H,26,28)(H,22,23,24)
InChIKeyYQYBYZRKKOTJMN-UHFFFAOYSA-N
XLogP3.34
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259588
N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259606
2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109259586
N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259587
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-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259614

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (CID 109259590) is N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnc(NCCc3ccccc3)nc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is YQYBYZRKKOTJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-15(27)25-18-7-9-19(10-8-18)26-20(28)17-13-23-21(24-14-17)22-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,25,27)(H,26,28)(H,22,23,24).
What are the key properties of N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).