4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide

C21H22N4O3 — CID 53318738

IUPAC4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide
SMILESCOc1ccc(CCNc2cc(-c3ccc(C(N)=O)cc3)nc(OC)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-17-9-3-14(4-10-17)11-12-23-19-13-18(24-21(25-19)28-2)15-5-7-16(8-6-15)20(22)26/h3-10,13H,11-12H2,1-2H3,(H2,22,26)(H,23,24,25)
InChIKeyWJPJBNRAIKENGV-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.91
Rot. Bonds8

About 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide

4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide (PubChem CID 53318738) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide
PubChem CID53318738
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide
SMILESCOc1ccc(CCNc2cc(-c3ccc(C(N)=O)cc3)nc(OC)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-17-9-3-14(4-10-17)11-12-23-19-13-18(24-21(25-19)28-2)15-5-7-16(8-6-15)20(22)26/h3-10,13H,11-12H2,1-2H3,(H2,22,26)(H,23,24,25)
InChIKeyWJPJBNRAIKENGV-UHFFFAOYSA-N
XLogP2.91
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide 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

Gnf-2
CID 5311510
N-(2-hydroxyethyl)-3-(6-((4-(trifluoromethoxy)phenyl)amino)-4-pyrimidinyl)benzamide
CID 44129660
Ssr161421
CID 10201497
4-[3-[3-[2,4-Bis(Azanyl)-6-Ethyl-Pyrimidin-5-Yl]prop-2-Ynyl]-4-Methoxy-Phenyl]benzoic Acid
CID 121493974
(2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl}formamido)-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648340
3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzonitrile
CID 11660493
2-Fluoro-5-{2-methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzoic acid
CID 11696919
N-(2,6-dimethylphenyl)-4-[[4-propyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 72724859
N-[5-(ethylaminomethyl)-2-methylphenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76314165
3-({4-[(5-Methoxy-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138023
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 78
CID 44520965

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide?
The IUPAC name of 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide (CID 53318738) is 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide?
The canonical SMILES for 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide is COc1ccc(CCNc2cc(-c3ccc(C(N)=O)cc3)nc(OC)n2)cc1.
What is the InChIKey of 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide?
The InChIKey is WJPJBNRAIKENGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-17-9-3-14(4-10-17)11-12-23-19-13-18(24-21(25-19)28-2)15-5-7-16(8-6-15)20(22)26/h3-10,13H,11-12H2,1-2H3,(H2,22,26)(H,23,24,25).
What are the key properties of 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide?
4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 53318738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).