6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine

C14H16N6 — CID 114783461

IUPAC6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine
SMILESCNc1nc(Nc2cc(C)ccc2C)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6/c1-8-4-5-9(2)10(6-8)18-13-11-12(17-7-16-11)19-14(15-3)20-13/h4-7H,1-3H3,(H3,15,16,17,18,19,20)
InChIKeyAAOJEKJQUSDUTH-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.76
Rot. Bonds3

About 6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine

6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine (PubChem CID 114783461) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine
PubChem CID114783461
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine
SMILESCNc1nc(Nc2cc(C)ccc2C)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6/c1-8-4-5-9(2)10(6-8)18-13-11-12(17-7-16-11)19-14(15-3)20-13/h4-7H,1-3H3,(H3,15,16,17,18,19,20)
InChIKeyAAOJEKJQUSDUTH-UHFFFAOYSA-N
XLogP2.76
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114783346
2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine
CID 114783343
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
2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine
CID 114783352
6-N-(4-chloro-2-iodophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107639033
6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107604396
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532
6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784398
2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785676
4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16911015
6-N,6-N-diethyl-2-N-methyl-7H-purine-2,6-diamine
CID 114783569

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine (CID 114783461) is 6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine is CNc1nc(Nc2cc(C)ccc2C)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine?
The InChIKey is AAOJEKJQUSDUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-8-4-5-9(2)10(6-8)18-13-11-12(17-7-16-11)19-14(15-3)20-13/h4-7H,1-3H3,(H3,15,16,17,18,19,20).
What are the key properties of 6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine?
6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114783461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).