2-chloro-8-methyl-9-phenylpurine

C12H9ClN4 — CID 150775860

IUPAC2-chloro-8-methyl-9-phenylpurine
SMILESCc1nc2cnc(Cl)nc2n1-c1ccccc1
InChIInChI=1S/C12H9ClN4/c1-8-15-10-7-14-12(13)16-11(10)17(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyKAVUBFFSYJQKLB-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.78
Rot. Bonds1

About 2-chloro-8-methyl-9-phenylpurine

2-chloro-8-methyl-9-phenylpurine (PubChem CID 150775860) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 2-chloro-8-methyl-9-phenylpurine.

Molecular Properties

Compound Name2-chloro-8-methyl-9-phenylpurine
PubChem CID150775860
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name2-chloro-8-methyl-9-phenylpurine
SMILESCc1nc2cnc(Cl)nc2n1-c1ccccc1
InChIInChI=1S/C12H9ClN4/c1-8-15-10-7-14-12(13)16-11(10)17(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyKAVUBFFSYJQKLB-UHFFFAOYSA-N
XLogP2.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methyl-9-phenylpurine?
The IUPAC name of 2-chloro-8-methyl-9-phenylpurine (CID 150775860) is 2-chloro-8-methyl-9-phenylpurine.
What is the SMILES notation for 2-chloro-8-methyl-9-phenylpurine?
The canonical SMILES for 2-chloro-8-methyl-9-phenylpurine is Cc1nc2cnc(Cl)nc2n1-c1ccccc1.
What is the InChIKey of 2-chloro-8-methyl-9-phenylpurine?
The InChIKey is KAVUBFFSYJQKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c1-8-15-10-7-14-12(13)16-11(10)17(8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2-chloro-8-methyl-9-phenylpurine?
2-chloro-8-methyl-9-phenylpurine has a molecular weight of 244.69 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methyl-9-phenylpurine is sourced from PubChem (CID 150775860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).