2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine

C14H14ClN5O — CID 169449352

IUPAC2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine
SMILESCNc1nc(Cl)nc2c1ncn2Cc1ccccc1OC
InChIInChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)7-9-5-3-4-6-10(9)21-2/h3-6,8H,7H2,1-2H3,(H,16,18,19)
InChIKeyLRWSDRDVQLGOLD-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.58
Rot. Bonds4

About 2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine

2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine (PubChem CID 169449352) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine.

Molecular Properties

Compound Name2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine
PubChem CID169449352
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine
SMILESCNc1nc(Cl)nc2c1ncn2Cc1ccccc1OC
InChIInChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)7-9-5-3-4-6-10(9)21-2/h3-6,8H,7H2,1-2H3,(H,16,18,19)
InChIKeyLRWSDRDVQLGOLD-UHFFFAOYSA-N
XLogP2.58
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine?
The IUPAC name of 2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine (CID 169449352) is 2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine.
What is the SMILES notation for 2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine?
The canonical SMILES for 2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine is CNc1nc(Cl)nc2c1ncn2Cc1ccccc1OC.
What is the InChIKey of 2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine?
The InChIKey is LRWSDRDVQLGOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)7-9-5-3-4-6-10(9)21-2/h3-6,8H,7H2,1-2H3,(H,16,18,19).
What are the key properties of 2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine?
2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine has a molecular weight of 303.75 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-[(2-methoxyphenyl)methyl]-N-methylpurin-6-amine is sourced from PubChem (CID 169449352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).