2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine

C13H14N6 — CID 114783343

IUPAC2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine
SMILESCNc1nc(Nc2ccccc2C)c2[nH]cnc2n1
InChIInChI=1S/C13H14N6/c1-8-5-3-4-6-9(8)17-12-10-11(16-7-15-10)18-13(14-2)19-12/h3-7H,1-2H3,(H3,14,15,16,17,18,19)
InChIKeyGVBZPXHYEJQKPT-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.45
Rot. Bonds3

About 2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine

2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine (PubChem CID 114783343) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine
PubChem CID114783343
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine
SMILESCNc1nc(Nc2ccccc2C)c2[nH]cnc2n1
InChIInChI=1S/C13H14N6/c1-8-5-3-4-6-9(8)17-12-10-11(16-7-15-10)18-13(14-2)19-12/h3-7H,1-2H3,(H3,14,15,16,17,18,19)
InChIKeyGVBZPXHYEJQKPT-UHFFFAOYSA-N
XLogP2.45
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114783461
6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114783346
6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107604396
6-N-(3-bromo-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114785186
6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114786250
6-N-(4-chloro-2-iodophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107639033
6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784398
6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 107638678
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421
2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol
CID 114785129
2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785676
6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114783680

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine (CID 114783343) is 2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine is CNc1nc(Nc2ccccc2C)c2[nH]cnc2n1.
What is the InChIKey of 2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine?
The InChIKey is GVBZPXHYEJQKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-8-5-3-4-6-9(8)17-12-10-11(16-7-15-10)18-13(14-2)19-12/h3-7H,1-2H3,(H3,14,15,16,17,18,19).
What are the key properties of 2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine?
2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine has a molecular weight of 254.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114783343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).