2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine

C17H13ClN4O2 — CID 5270751

IUPAC2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine
SMILESCOc1ccc(Cn2cnc3c(-c4ccco4)nc(Cl)nc32)cc1
InChIInChI=1S/C17H13ClN4O2/c1-23-12-6-4-11(5-7-12)9-22-10-19-15-14(13-3-2-8-24-13)20-17(18)21-16(15)22/h2-8,10H,9H2,1H3
InChIKeySJKOQMCAHSJMCS-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.80
Rot. Bonds4

About 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine

2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine (PubChem CID 5270751) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine.

Molecular Properties

Compound Name2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine
PubChem CID5270751
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine
SMILESCOc1ccc(Cn2cnc3c(-c4ccco4)nc(Cl)nc32)cc1
InChIInChI=1S/C17H13ClN4O2/c1-23-12-6-4-11(5-7-12)9-22-10-19-15-14(13-3-2-8-24-13)20-17(18)21-16(15)22/h2-8,10H,9H2,1H3
InChIKeySJKOQMCAHSJMCS-UHFFFAOYSA-N
XLogP3.80
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine?
The IUPAC name of 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine (CID 5270751) is 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine.
What is the SMILES notation for 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine?
The canonical SMILES for 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine is COc1ccc(Cn2cnc3c(-c4ccco4)nc(Cl)nc32)cc1.
What is the InChIKey of 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine?
The InChIKey is SJKOQMCAHSJMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c1-23-12-6-4-11(5-7-12)9-22-10-19-15-14(13-3-2-8-24-13)20-17(18)21-16(15)22/h2-8,10H,9H2,1H3.
What are the key properties of 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine?
2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine has a molecular weight of 340.77 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine is sourced from PubChem (CID 5270751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).