6-chloro-3,8-dimethylpurine

C7H7ClN4 — CID 20700191

IUPAC6-chloro-3,8-dimethylpurine
SMILESCc1nc2c(Cl)ncn(C)c-2n1
InChIInChI=1S/C7H7ClN4/c1-4-10-5-6(8)9-3-12(2)7(5)11-4/h3H,1-2H3
InChIKeyJGMHAHLQHUNAMN-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.28
Rot. Bonds

About 6-chloro-3,8-dimethylpurine

6-chloro-3,8-dimethylpurine (PubChem CID 20700191) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 6-chloro-3,8-dimethylpurine.

Molecular Properties

Compound Name6-chloro-3,8-dimethylpurine
PubChem CID20700191
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name6-chloro-3,8-dimethylpurine
SMILESCc1nc2c(Cl)ncn(C)c-2n1
InChIInChI=1S/C7H7ClN4/c1-4-10-5-6(8)9-3-12(2)7(5)11-4/h3H,1-2H3
InChIKeyJGMHAHLQHUNAMN-UHFFFAOYSA-N
XLogP1.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1,5-dimethylimidazole
CID 59999519
4-chloro-1-methyl-5-propan-2-ylimidazole
CID 146392537
6-chloro-5-fluoro-3-methylpyrimidin-4-one
CID 133060787
2,7-dimethylpurin-6-amine
CID 54122244
4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine
CID 21083920
7-chloro-3,5-dimethylimidazo[4,5-b]pyridine
CID 83680448
6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 169253829
5-chloro-1-methylimidazol-4-amine
CID 23064494
5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene
CID 144908785
4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine
CID 121205795
(5-chloro-3-methylimidazol-4-yl) hydrogen sulfite
CID 174302184
methane;1,4,5-trimethylimidazole
CID 157422671

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,8-dimethylpurine?
The IUPAC name of 6-chloro-3,8-dimethylpurine (CID 20700191) is 6-chloro-3,8-dimethylpurine.
What is the SMILES notation for 6-chloro-3,8-dimethylpurine?
The canonical SMILES for 6-chloro-3,8-dimethylpurine is Cc1nc2c(Cl)ncn(C)c-2n1.
What is the InChIKey of 6-chloro-3,8-dimethylpurine?
The InChIKey is JGMHAHLQHUNAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c1-4-10-5-6(8)9-3-12(2)7(5)11-4/h3H,1-2H3.
What are the key properties of 6-chloro-3,8-dimethylpurine?
6-chloro-3,8-dimethylpurine has a molecular weight of 182.61 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,8-dimethylpurine is sourced from PubChem (CID 20700191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).