2-butyl-6-chloro-9-methylpurine

C10H13ClN4 — CID 46895122

IUPAC2-butyl-6-chloro-9-methylpurine
SMILESCCCCc1nc(Cl)c2ncn(C)c2n1
InChIInChI=1S/C10H13ClN4/c1-3-4-5-7-13-9(11)8-10(14-7)15(2)6-12-8/h6H,3-5H2,1-2H3
InChIKeyNOQKLFARWRCRAM-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.36
Rot. Bonds3

About 2-butyl-6-chloro-9-methylpurine

2-butyl-6-chloro-9-methylpurine (PubChem CID 46895122) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-butyl-6-chloro-9-methylpurine.

Molecular Properties

Compound Name2-butyl-6-chloro-9-methylpurine
PubChem CID46895122
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name2-butyl-6-chloro-9-methylpurine
SMILESCCCCc1nc(Cl)c2ncn(C)c2n1
InChIInChI=1S/C10H13ClN4/c1-3-4-5-7-13-9(11)8-10(14-7)15(2)6-12-8/h6H,3-5H2,1-2H3
InChIKeyNOQKLFARWRCRAM-UHFFFAOYSA-N
XLogP2.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-Ethyladenine
CID 7
9-Cyclopentyladenine
CID 12852
N-Cyclopentyl-9-methyl-9H-purin-6-amine
CID 4401
2,6-dichloro-7-methyl-7H-purine
CID 75281
6-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
CID 97740
6-chloro-9-methyl-9H-purine
CID 94844
8-Bromo-9-butyl-9H-purin-6-amine
CID 11608719
8-Bromo-9-cyclopentyl-9H-adenine
CID 12016633
9-Propyl-9h-purin-6-amine
CID 247436
N,N,9-Trimethyl-9H-purin-6-amine
CID 221105
9-Cyclohexyl-9H-purin-6-amine
CID 95121
9-Methyl-9H-purine-2,6-diamine
CID 22949012

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-chloro-9-methylpurine?
The IUPAC name of 2-butyl-6-chloro-9-methylpurine (CID 46895122) is 2-butyl-6-chloro-9-methylpurine.
What is the SMILES notation for 2-butyl-6-chloro-9-methylpurine?
The canonical SMILES for 2-butyl-6-chloro-9-methylpurine is CCCCc1nc(Cl)c2ncn(C)c2n1.
What is the InChIKey of 2-butyl-6-chloro-9-methylpurine?
The InChIKey is NOQKLFARWRCRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-3-4-5-7-13-9(11)8-10(14-7)15(2)6-12-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-butyl-6-chloro-9-methylpurine?
2-butyl-6-chloro-9-methylpurine has a molecular weight of 224.69 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-chloro-9-methylpurine is sourced from PubChem (CID 46895122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).