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

C13H11Cl2N5 — CID 154249196

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine
SMILESCNc1nc(Cc2c(Cl)cccc2Cl)nc2nc[nH]c12
InChIInChI=1S/C13H11Cl2N5/c1-16-12-11-13(18-6-17-11)20-10(19-12)5-7-8(14)3-2-4-9(7)15/h2-4,6H,5H2,1H3,(H2,16,17,18,19,20)
InChIKeyARWPBHRIVFXAEI-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.29
Rot. Bonds3

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

2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine (PubChem CID 154249196) has the molecular formula C13H11Cl2N5 and a molecular weight of 308.17 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine
PubChem CID154249196
Molecular FormulaC13H11Cl2N5
Molecular Weight308.17 g/mol
Exact Mass307.04
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine
SMILESCNc1nc(Cc2c(Cl)cccc2Cl)nc2nc[nH]c12
InChIInChI=1S/C13H11Cl2N5/c1-16-12-11-13(18-6-17-11)20-10(19-12)5-7-8(14)3-2-4-9(7)15/h2-4,6H,5H2,1H3,(H2,16,17,18,19,20)
InChIKeyARWPBHRIVFXAEI-UHFFFAOYSA-N
XLogP3.29
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine (CID 154249196) is 2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine is CNc1nc(Cc2c(Cl)cccc2Cl)nc2nc[nH]c12.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine?
The InChIKey is ARWPBHRIVFXAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N5/c1-16-12-11-13(18-6-17-11)20-10(19-12)5-7-8(14)3-2-4-9(7)15/h2-4,6H,5H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine?
2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine has a molecular weight of 308.17 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine is sourced from PubChem (CID 154249196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).