N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine

C13H13N5O — CID 850966

IUPACN-[(3-methoxyphenyl)methyl]-7H-purin-6-amine
SMILESCOc1cccc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C13H13N5O/c1-19-10-4-2-3-9(5-10)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)
InChIKeyJLFVTVWYTKYYPS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.97
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine

N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine (PubChem CID 850966) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-7H-purin-6-amine
PubChem CID850966
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-[(3-methoxyphenyl)methyl]-7H-purin-6-amine
SMILESCOc1cccc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C13H13N5O/c1-19-10-4-2-3-9(5-10)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)
InChIKeyJLFVTVWYTKYYPS-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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Related Compounds

7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
Meriolin 3
CID 23727981
9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
N-(2-methoxybenzyl)-9H-purin-6-amine
CID 756722
7H-Adenine, N-(o-methoxyphenyl)-
CID 52000
6-((4-(Aminomethyl)benzyl)oxy)-9H-purin-2-amine
CID 25149605
Anisiflupurin
CID 25169483
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
8-(2,4-Dimethoxyphenyl)-9H-purine-2,6-diamine
CID 457736
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine (CID 850966) is N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine is COc1cccc(CNc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine?
The InChIKey is JLFVTVWYTKYYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-19-10-4-2-3-9(5-10)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-[(3-methoxyphenyl)methyl]-7H-purin-6-amine?
N-[(3-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-[(3-methoxyphenyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 850966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).