N-(3-methoxyphenyl)-7H-purin-6-amine

C12H11N5O — CID 670977

IUPACN-(3-methoxyphenyl)-7H-purin-6-amine
SMILESCOc1cccc(Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C12H11N5O/c1-18-9-4-2-3-8(5-9)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyAXPCHVXFDHPTBW-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.11
Rot. Bonds3

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

N-(3-methoxyphenyl)-7H-purin-6-amine (PubChem CID 670977) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-7H-purin-6-amine
PubChem CID670977
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC NameN-(3-methoxyphenyl)-7H-purin-6-amine
SMILESCOc1cccc(Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C12H11N5O/c1-18-9-4-2-3-8(5-9)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyAXPCHVXFDHPTBW-UHFFFAOYSA-N
XLogP2.11
TPSA75.72 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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-7H-purin-6-amine?
The IUPAC name of N-(3-methoxyphenyl)-7H-purin-6-amine (CID 670977) is N-(3-methoxyphenyl)-7H-purin-6-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-7H-purin-6-amine?
The canonical SMILES for N-(3-methoxyphenyl)-7H-purin-6-amine is COc1cccc(Nc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-7H-purin-6-amine?
The InChIKey is AXPCHVXFDHPTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-18-9-4-2-3-8(5-9)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H2,13,14,15,16,17).
What are the key properties of N-(3-methoxyphenyl)-7H-purin-6-amine?
N-(3-methoxyphenyl)-7H-purin-6-amine has a molecular weight of 241.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-7H-purin-6-amine is sourced from PubChem (CID 670977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).