N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

C21H22N4O — CID 109259381

IUPACN-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C21H22N4O/c26-20(22-13-11-17-7-3-1-4-8-17)19-15-24-21(25-16-19)23-14-12-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2,(H,22,26)(H,23,24,25)
InChIKeyNDVDMXGTQFLZQM-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.10
Rot. Bonds8

About N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109259381) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109259381
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C21H22N4O/c26-20(22-13-11-17-7-3-1-4-8-17)19-15-24-21(25-16-19)23-14-12-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2,(H,22,26)(H,23,24,25)
InChIKeyNDVDMXGTQFLZQM-UHFFFAOYSA-N
XLogP3.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259527
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109251184
N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109256088
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109255233
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109257138
N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557
2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259439
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259539
N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259588

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (CID 109259381) is N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is O=C(NCCc1ccccc1)c1cnc(NCCc2ccccc2)nc1.
What is the InChIKey of N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is NDVDMXGTQFLZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-20(22-13-11-17-7-3-1-4-8-17)19-15-24-21(25-16-19)23-14-12-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2,(H,22,26)(H,23,24,25).
What are the key properties of N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).