6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine

C14H16N6O — CID 115669342

IUPAC6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
SMILESCOc1cccc(CN(C)c2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C14H16N6O/c1-20(7-9-4-3-5-10(6-9)21-2)13-11-12(17-8-16-11)18-14(15)19-13/h3-6,8H,7H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyWQABPVSJKHFUBR-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.58
Rot. Bonds4

About 6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine

6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine (PubChem CID 115669342) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
PubChem CID115669342
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
SMILESCOc1cccc(CN(C)c2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C14H16N6O/c1-20(7-9-4-3-5-10(6-9)21-2)13-11-12(17-8-16-11)18-14(15)19-13/h3-6,8H,7H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyWQABPVSJKHFUBR-UHFFFAOYSA-N
XLogP1.58
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
CID 44776717
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 104623147
N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 60877421
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
CID 61420405
N-[2-(3-methoxyphenyl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479729
2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine
CID 69033546
6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine
CID 114783307
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 115669355
N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 94145814
ethyl 2-[(2-amino-7H-purin-6-yl)-methylamino]acetate
CID 114052448
5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 61420357

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine (CID 115669342) is 6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine is COc1cccc(CN(C)c2nc(N)nc3nc[nH]c23)c1.
What is the InChIKey of 6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine?
The InChIKey is WQABPVSJKHFUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-20(7-9-4-3-5-10(6-9)21-2)13-11-12(17-8-16-11)18-14(15)19-13/h3-6,8H,7H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine?
6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine has a molecular weight of 284.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine is sourced from PubChem (CID 115669342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).