2,6-dichloro-9-propan-2-ylpurine

C8H8Cl2N4 — CID 11218490

IUPAC2,6-dichloro-9-propan-2-ylpurine
SMILESCC(C)n1cnc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C8H8Cl2N4/c1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4H,1-2H3
InChIKeyGKEFDRUWUYSFGW-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.71
Rot. Bonds1

About 2,6-dichloro-9-propan-2-ylpurine

2,6-dichloro-9-propan-2-ylpurine (PubChem CID 11218490) has the molecular formula C8H8Cl2N4 and a molecular weight of 231.09 g/mol. Its IUPAC name is 2,6-dichloro-9-propan-2-ylpurine.

Molecular Properties

Compound Name2,6-dichloro-9-propan-2-ylpurine
PubChem CID11218490
Molecular FormulaC8H8Cl2N4
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name2,6-dichloro-9-propan-2-ylpurine
SMILESCC(C)n1cnc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C8H8Cl2N4/c1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4H,1-2H3
InChIKeyGKEFDRUWUYSFGW-UHFFFAOYSA-N
XLogP2.71
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methyladenine
CID 71593
9-Methyladenine
CID 69689
9-Ethyladenine
CID 7
8-Bromo-9-ethyladenine
CID 5248753
9-Cyclopentyladenine
CID 12852
9H-Purin-6-amine, N,9-dimethyl-
CID 94845
N-Cyclopentyl-9-methyl-9H-purin-6-amine
CID 4401
9-(3-Methyl-but-2-enyl)-9H-purin-6-ylamine
CID 10655770
9-cyclopropyl-9H-purin-6-amine
CID 414708
2,6-dichloro-7-methyl-7H-purine
CID 75281
6-chloro-9-methyl-9H-purine
CID 94844
8-Bromo-9-butyl-9H-purin-6-amine
CID 11608719

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-9-propan-2-ylpurine?
The IUPAC name of 2,6-dichloro-9-propan-2-ylpurine (CID 11218490) is 2,6-dichloro-9-propan-2-ylpurine.
What is the SMILES notation for 2,6-dichloro-9-propan-2-ylpurine?
The canonical SMILES for 2,6-dichloro-9-propan-2-ylpurine is CC(C)n1cnc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,6-dichloro-9-propan-2-ylpurine?
The InChIKey is GKEFDRUWUYSFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4/c1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4H,1-2H3.
What are the key properties of 2,6-dichloro-9-propan-2-ylpurine?
2,6-dichloro-9-propan-2-ylpurine has a molecular weight of 231.09 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-9-propan-2-ylpurine is sourced from PubChem (CID 11218490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).