2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109306340

IUPAC2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2nccc(C(=O)NCCc3ccccc3)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-18-9-7-17(8-10-18)15-24-21-23-14-12-19(25-21)20(26)22-13-11-16-5-3-2-4-6-16/h2-10,12,14H,11,13,15H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyGIUZNTREWGKXHD-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.07
Rot. Bonds8

About 2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide

2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109306340) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109306340
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2nccc(C(=O)NCCc3ccccc3)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-18-9-7-17(8-10-18)15-24-21-23-14-12-19(25-21)20(26)22-13-11-16-5-3-2-4-6-16/h2-10,12,14H,11,13,15H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyGIUZNTREWGKXHD-UHFFFAOYSA-N
XLogP3.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305509
N-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307461
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308746
2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109299630
2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300175
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
5-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109190458
N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109305856
2-[2-(4-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109308814
2-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305508
2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307886
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109306340) is 2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide is COc1ccc(CNc2nccc(C(=O)NCCc3ccccc3)n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is GIUZNTREWGKXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-18-9-7-17(8-10-18)15-24-21-23-14-12-19(25-21)20(26)22-13-11-16-5-3-2-4-6-16/h2-10,12,14H,11,13,15H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109306340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).