6-phenylmethoxy-7H-purin-2-amine

C12H11N5O — CID 4578

IUPAC6-phenylmethoxy-7H-purin-2-amine
SMILESNc1nc(OCc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChIKeyKRWMERLEINMZFT-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.51
Rot. Bonds3

About 6-phenylmethoxy-7H-purin-2-amine

6-phenylmethoxy-7H-purin-2-amine (PubChem CID 4578) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-phenylmethoxy-7H-purin-2-amine.

Molecular Properties

Compound Name6-phenylmethoxy-7H-purin-2-amine
PubChem CID4578
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name6-phenylmethoxy-7H-purin-2-amine
SMILESNc1nc(OCc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChIKeyKRWMERLEINMZFT-UHFFFAOYSA-N
XLogP1.51
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-7H-purin-2-amine?
The IUPAC name of 6-phenylmethoxy-7H-purin-2-amine (CID 4578) is 6-phenylmethoxy-7H-purin-2-amine.
What is the SMILES notation for 6-phenylmethoxy-7H-purin-2-amine?
The canonical SMILES for 6-phenylmethoxy-7H-purin-2-amine is Nc1nc(OCc2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of 6-phenylmethoxy-7H-purin-2-amine?
The InChIKey is KRWMERLEINMZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17).
What are the key properties of 6-phenylmethoxy-7H-purin-2-amine?
6-phenylmethoxy-7H-purin-2-amine has a molecular weight of 241.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-7H-purin-2-amine is sourced from PubChem (CID 4578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).