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

C13H13N5O — CID 15024479

IUPAC6-[(4-methylphenyl)methoxy]-7H-purin-2-amine
SMILESCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1
InChIInChI=1S/C13H13N5O/c1-8-2-4-9(5-3-8)6-19-12-10-11(16-7-15-10)17-13(14)18-12/h2-5,7H,6H2,1H3,(H3,14,15,16,17,18)
InChIKeyLTICVMSDFXJSRL-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.82
Rot. Bonds3

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

6-[(4-methylphenyl)methoxy]-7H-purin-2-amine (PubChem CID 15024479) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methoxy]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[(4-methylphenyl)methoxy]-7H-purin-2-amine
PubChem CID15024479
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name6-[(4-methylphenyl)methoxy]-7H-purin-2-amine
SMILESCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1
InChIInChI=1S/C13H13N5O/c1-8-2-4-9(5-3-8)6-19-12-10-11(16-7-15-10)17-13(14)18-12/h2-5,7H,6H2,1H3,(H3,14,15,16,17,18)
InChIKeyLTICVMSDFXJSRL-UHFFFAOYSA-N
XLogP1.82
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methoxy]-7H-purin-2-amine?
The IUPAC name of 6-[(4-methylphenyl)methoxy]-7H-purin-2-amine (CID 15024479) is 6-[(4-methylphenyl)methoxy]-7H-purin-2-amine.
What is the SMILES notation for 6-[(4-methylphenyl)methoxy]-7H-purin-2-amine?
The canonical SMILES for 6-[(4-methylphenyl)methoxy]-7H-purin-2-amine is Cc1ccc(COc2nc(N)nc3nc[nH]c23)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methoxy]-7H-purin-2-amine?
The InChIKey is LTICVMSDFXJSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-2-4-9(5-3-8)6-19-12-10-11(16-7-15-10)17-13(14)18-12/h2-5,7H,6H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 6-[(4-methylphenyl)methoxy]-7H-purin-2-amine?
6-[(4-methylphenyl)methoxy]-7H-purin-2-amine has a molecular weight of 255.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methoxy]-7H-purin-2-amine is sourced from PubChem (CID 15024479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).