6-phenylmethoxy-7H-purine-2,8-diamine

C12H12N6O — CID 10244118

IUPAC6-phenylmethoxy-7H-purine-2,8-diamine
SMILESNc1nc(OCc2ccccc2)c2[nH]c(N)nc2n1
InChIInChI=1S/C12H12N6O/c13-11-15-8-9(16-11)17-12(14)18-10(8)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H5,13,14,15,16,17,18)
InChIKeyJFLIIYYCWTUADU-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.10
Rot. Bonds3

About 6-phenylmethoxy-7H-purine-2,8-diamine

6-phenylmethoxy-7H-purine-2,8-diamine (PubChem CID 10244118) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 6-phenylmethoxy-7H-purine-2,8-diamine.

Molecular Properties

Compound Name6-phenylmethoxy-7H-purine-2,8-diamine
PubChem CID10244118
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name6-phenylmethoxy-7H-purine-2,8-diamine
SMILESNc1nc(OCc2ccccc2)c2[nH]c(N)nc2n1
InChIInChI=1S/C12H12N6O/c13-11-15-8-9(16-11)17-12(14)18-10(8)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H5,13,14,15,16,17,18)
InChIKeyJFLIIYYCWTUADU-UHFFFAOYSA-N
XLogP1.10
TPSA115.73 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 ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-phenylmethoxy-7H-purine-2,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(Phenylmethoxy)-9H-purin-2-amine
CID 4578
2-Anilino-6-cyclohexylmethoxypurine
CID 1540
6-Benzyloxypurine
CID 853677
7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine
CID 6418797
6-((4-(Aminomethyl)benzyl)oxy)-9H-purin-2-amine
CID 25149605
O6-Substituted Guanine Deriv. 32
CID 5329516
O6-Cyclohexylmethylguanine deriv. 20
CID 5329555
6-((3-(Aminomethyl)benzyl)oxy)-9H-purin-2-amine
CID 24905366
O6-(R)-Roscovitine, R-2-(6-benzyloxy-9-isopropyl-9H-purin-2-ylamino)-butan-1-OL
CID 4369502
6,7-Dimethyl-4-phenylmethoxypteridin-2-amine
CID 822237
1H-Purin-2-amine, 8-bromo-6-(phenylmethoxy)-
CID 9797127
2,5,6-Triamino-4-Benzyloxypyrimidine
CID 9816044

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-7H-purine-2,8-diamine?
The IUPAC name of 6-phenylmethoxy-7H-purine-2,8-diamine (CID 10244118) is 6-phenylmethoxy-7H-purine-2,8-diamine.
What is the SMILES notation for 6-phenylmethoxy-7H-purine-2,8-diamine?
The canonical SMILES for 6-phenylmethoxy-7H-purine-2,8-diamine is Nc1nc(OCc2ccccc2)c2[nH]c(N)nc2n1.
What is the InChIKey of 6-phenylmethoxy-7H-purine-2,8-diamine?
The InChIKey is JFLIIYYCWTUADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c13-11-15-8-9(16-11)17-12(14)18-10(8)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H5,13,14,15,16,17,18).
What are the key properties of 6-phenylmethoxy-7H-purine-2,8-diamine?
6-phenylmethoxy-7H-purine-2,8-diamine has a molecular weight of 256.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-7H-purine-2,8-diamine is sourced from PubChem (CID 10244118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).