N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine

C13H13N5O — CID 756722

IUPACN-[(2-methoxyphenyl)methyl]-7H-purin-6-amine
SMILESCOc1ccccc1CNc1ncnc2nc[nH]c12
InChIInChI=1S/C13H13N5O/c1-19-10-5-3-2-4-9(10)6-14-12-11-13(16-7-15-11)18-8-17-12/h2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18)
InChIKeySTWJKIOLMNHFIK-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.97
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine

N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine (PubChem CID 756722) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-7H-purin-6-amine
PubChem CID756722
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-7H-purin-6-amine
SMILESCOc1ccccc1CNc1ncnc2nc[nH]c12
InChIInChI=1S/C13H13N5O/c1-19-10-5-3-2-4-9(10)6-14-12-11-13(16-7-15-11)18-8-17-12/h2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18)
InChIKeySTWJKIOLMNHFIK-UHFFFAOYSA-N
XLogP1.97
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine (CID 756722) is N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine is COc1ccccc1CNc1ncnc2nc[nH]c12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine?
The InChIKey is STWJKIOLMNHFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-19-10-5-3-2-4-9(10)6-14-12-11-13(16-7-15-11)18-8-17-12/h2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18).
What are the key properties of N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine?
N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine has a molecular weight of 255.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 756722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).