N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide

C20H20N4O — CID 109259539

IUPACN-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCN(C(=O)c1cnc(NCCc2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C20H20N4O/c1-24(18-10-6-3-7-11-18)19(25)17-14-22-20(23-15-17)21-13-12-16-8-4-2-5-9-16/h2-11,14-15H,12-13H2,1H3,(H,21,22,23)
InChIKeyHPQBAMDPGFRUIR-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.41
Rot. Bonds6

About N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide

N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109259539) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109259539
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCN(C(=O)c1cnc(NCCc2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C20H20N4O/c1-24(18-10-6-3-7-11-18)19(25)17-14-22-20(23-15-17)21-13-12-16-8-4-2-5-9-16/h2-11,14-15H,12-13H2,1H3,(H,21,22,23)
InChIKeyHPQBAMDPGFRUIR-UHFFFAOYSA-N
XLogP3.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263759
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109262794
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide
CID 109246693
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259527
N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259588
N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213670
N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557
N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109256088
5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109193694

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide (CID 109259539) is N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide is CN(C(=O)c1cnc(NCCc2ccccc2)nc1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is HPQBAMDPGFRUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-24(18-10-6-3-7-11-18)19(25)17-14-22-20(23-15-17)21-13-12-16-8-4-2-5-9-16/h2-11,14-15H,12-13H2,1H3,(H,21,22,23).
What are the key properties of N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).