2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide

C21H20N6O2 — CID 155545443

IUPAC2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nc(NCc2ccccc2C)c2[nH]cnc2n1
InChIInChI=1S/C21H20N6O2/c1-13-7-3-4-8-14(13)11-22-18-17-19(24-12-23-17)26-21(25-18)27-20(28)15-9-5-6-10-16(15)29-2/h3-10,12H,11H2,1-2H3,(H3,22,23,24,25,26,27,28)
InChIKeyPJXXYXOWSDOGHC-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.53
Rot. Bonds6

About 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide

2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide (PubChem CID 155545443) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide
PubChem CID155545443
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nc(NCc2ccccc2C)c2[nH]cnc2n1
InChIInChI=1S/C21H20N6O2/c1-13-7-3-4-8-14(13)11-22-18-17-19(24-12-23-17)26-21(25-18)27-20(28)15-9-5-6-10-16(15)29-2/h3-10,12H,11H2,1-2H3,(H3,22,23,24,25,26,27,28)
InChIKeyPJXXYXOWSDOGHC-UHFFFAOYSA-N
XLogP3.53
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide (CID 155545443) is 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide is COc1ccccc1C(=O)Nc1nc(NCc2ccccc2C)c2[nH]cnc2n1.
What is the InChIKey of 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide?
The InChIKey is PJXXYXOWSDOGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13-7-3-4-8-14(13)11-22-18-17-19(24-12-23-17)26-21(25-18)27-20(28)15-9-5-6-10-16(15)29-2/h3-10,12H,11H2,1-2H3,(H3,22,23,24,25,26,27,28).
What are the key properties of 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide?
2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide has a molecular weight of 388.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide is sourced from PubChem (CID 155545443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).