(2-chlorophenyl)-(6-methoxypurin-9-yl)methanone

C13H9ClN4O2 — CID 162667994

IUPAC(2-chlorophenyl)-(6-methoxypurin-9-yl)methanone
SMILESCOc1ncnc2c1ncn2C(=O)c1ccccc1Cl
InChIInChI=1S/C13H9ClN4O2/c1-20-12-10-11(15-6-16-12)18(7-17-10)13(19)8-4-2-3-5-9(8)14/h2-7H,1H3
InChIKeyRGAQBNOBTDBAIV-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.18
Rot. Bonds2

About (2-chlorophenyl)-(6-methoxypurin-9-yl)methanone

(2-chlorophenyl)-(6-methoxypurin-9-yl)methanone (PubChem CID 162667994) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is (2-chlorophenyl)-(6-methoxypurin-9-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(6-methoxypurin-9-yl)methanone
PubChem CID162667994
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Name(2-chlorophenyl)-(6-methoxypurin-9-yl)methanone
SMILESCOc1ncnc2c1ncn2C(=O)c1ccccc1Cl
InChIInChI=1S/C13H9ClN4O2/c1-20-12-10-11(15-6-16-12)18(7-17-10)13(19)8-4-2-3-5-9(8)14/h2-7H,1H3
InChIKeyRGAQBNOBTDBAIV-UHFFFAOYSA-N
XLogP2.18
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(6-methoxypurin-9-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(6-methoxypurin-9-yl)methanone (CID 162667994) is (2-chlorophenyl)-(6-methoxypurin-9-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(6-methoxypurin-9-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(6-methoxypurin-9-yl)methanone is COc1ncnc2c1ncn2C(=O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(6-methoxypurin-9-yl)methanone?
The InChIKey is RGAQBNOBTDBAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c1-20-12-10-11(15-6-16-12)18(7-17-10)13(19)8-4-2-3-5-9(8)14/h2-7H,1H3.
What are the key properties of (2-chlorophenyl)-(6-methoxypurin-9-yl)methanone?
(2-chlorophenyl)-(6-methoxypurin-9-yl)methanone has a molecular weight of 288.69 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(6-methoxypurin-9-yl)methanone is sourced from PubChem (CID 162667994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).