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

C12H12N6O — CID 69033546

IUPAC2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine
SMILESCOc1cccc(Nc2nc(N)c3[nH]cnc3n2)c1
InChIInChI=1S/C12H12N6O/c1-19-8-4-2-3-7(5-8)16-12-17-10(13)9-11(18-12)15-6-14-9/h2-6H,1H3,(H4,13,14,15,16,17,18)
InChIKeyANSUVXOZYIQQFE-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.69
Rot. Bonds3

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

2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine (PubChem CID 69033546) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine
PubChem CID69033546
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine
SMILESCOc1cccc(Nc2nc(N)c3[nH]cnc3n2)c1
InChIInChI=1S/C12H12N6O/c1-19-8-4-2-3-7(5-8)16-12-17-10(13)9-11(18-12)15-6-14-9/h2-6H,1H3,(H4,13,14,15,16,17,18)
InChIKeyANSUVXOZYIQQFE-UHFFFAOYSA-N
XLogP1.69
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine (CID 69033546) is 2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine is COc1cccc(Nc2nc(N)c3[nH]cnc3n2)c1.
What is the InChIKey of 2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine?
The InChIKey is ANSUVXOZYIQQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-19-8-4-2-3-7(5-8)16-12-17-10(13)9-11(18-12)15-6-14-9/h2-6H,1H3,(H4,13,14,15,16,17,18).
What are the key properties of 2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine?
2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine has a molecular weight of 256.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 69033546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).