4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide

C20H20N4O2 — CID 108796510

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(O)cc3C)cc2)n1
InChIInChI=1S/C20H20N4O2/c1-12-10-17(25)8-9-18(12)24-19(26)15-4-6-16(7-5-15)23-20-21-13(2)11-14(3)22-20/h4-11,25H,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyCLLZPWXMLLCDSX-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.10
Rot. Bonds4

About 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide (PubChem CID 108796510) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide
PubChem CID108796510
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(O)cc3C)cc2)n1
InChIInChI=1S/C20H20N4O2/c1-12-10-17(25)8-9-18(12)24-19(26)15-4-6-16(7-5-15)23-20-21-13(2)11-14(3)22-20/h4-11,25H,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyCLLZPWXMLLCDSX-UHFFFAOYSA-N
XLogP4.10
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-4-methylbenzoic acid
CID 108807870
2-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]benzoic acid
CID 108807939
N-(2,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780189
N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108807886
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-fluorophenyl)benzamide
CID 99780272
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607
N-(2,6-difluorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796553
4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
CID 741703
N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780178
N-(4-benzamido-2,5-dimethoxyphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796630
N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796605
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-nitrophenyl)benzamide
CID 108796487

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide (CID 108796510) is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide is Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(O)cc3C)cc2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide?
The InChIKey is CLLZPWXMLLCDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12-10-17(25)8-9-18(12)24-19(26)15-4-6-16(7-5-15)23-20-21-13(2)11-14(3)22-20/h4-11,25H,1-3H3,(H,24,26)(H,21,22,23).
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide?
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide has a molecular weight of 348.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide is sourced from PubChem (CID 108796510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).