6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine

C18H15N5O — CID 10041517

IUPAC6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine
SMILESNc1nc(OCc2ccc(-c3ccccc3)cc2)c2[nH]cnc2n1
InChIInChI=1S/C18H15N5O/c19-18-22-16-15(20-11-21-16)17(23-18)24-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,19,20,21,22,23)
InChIKeyHITBIRASEGPKIV-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.18
Rot. Bonds4

About 6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine

6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine (PubChem CID 10041517) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine
PubChem CID10041517
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine
SMILESNc1nc(OCc2ccc(-c3ccccc3)cc2)c2[nH]cnc2n1
InChIInChI=1S/C18H15N5O/c19-18-22-16-15(20-11-21-16)17(23-18)24-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,19,20,21,22,23)
InChIKeyHITBIRASEGPKIV-UHFFFAOYSA-N
XLogP3.18
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine?
The IUPAC name of 6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine (CID 10041517) is 6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine.
What is the SMILES notation for 6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine?
The canonical SMILES for 6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine is Nc1nc(OCc2ccc(-c3ccccc3)cc2)c2[nH]cnc2n1.
What is the InChIKey of 6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine?
The InChIKey is HITBIRASEGPKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c19-18-22-16-15(20-11-21-16)17(23-18)24-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,19,20,21,22,23).
What are the key properties of 6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine?
6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine has a molecular weight of 317.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-phenylphenyl)methoxy]-7H-purin-2-amine is sourced from PubChem (CID 10041517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).