6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine

C14H16N6O — CID 114784398

IUPAC6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine
SMILESCCOc1cccc(Nc2nc(NC)nc3nc[nH]c23)c1
InChIInChI=1S/C14H16N6O/c1-3-21-10-6-4-5-9(7-10)18-13-11-12(17-8-16-11)19-14(15-2)20-13/h4-8H,3H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyLSVPHKZUXFEVCQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.54
Rot. Bonds5

About 6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine

6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine (PubChem CID 114784398) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine
PubChem CID114784398
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine
SMILESCCOc1cccc(Nc2nc(NC)nc3nc[nH]c23)c1
InChIInChI=1S/C14H16N6O/c1-3-21-10-6-4-5-9(7-10)18-13-11-12(17-8-16-11)19-14(15-2)20-13/h4-8H,3H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyLSVPHKZUXFEVCQ-UHFFFAOYSA-N
XLogP2.54
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107604396
2-N-ethyl-6-N-(3-iodophenyl)-7H-purine-2,6-diamine
CID 114783438
6-N-(3-bromo-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114785186
6-N-benzyl-2-N-[3-(2-methoxyethoxy)phenyl]-7H-purine-2,6-diamine
CID 118426241
2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine
CID 114783343
N-(3-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80905291
2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine
CID 69033546
6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114783461
2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine
CID 167822982
N-(3-methoxyphenyl)-2-nitro-7H-purin-6-amine
CID 25169481
ethyl 4-[[2-(3-nitroanilino)-7H-purin-6-yl]amino]benzoate
CID 10295556
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine (CID 114784398) is 6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine is CCOc1cccc(Nc2nc(NC)nc3nc[nH]c23)c1.
What is the InChIKey of 6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine?
The InChIKey is LSVPHKZUXFEVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-3-21-10-6-4-5-9(7-10)18-13-11-12(17-8-16-11)19-14(15-2)20-13/h4-8H,3H2,1-2H3,(H3,15,16,17,18,19,20).
What are the key properties of 6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine?
6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine has a molecular weight of 284.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114784398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).