2-propyl-7H-purine;hydrochloride

C8H11ClN4 — CID 18353371

IUPAC2-propyl-7H-purine;hydrochloride
SMILESCCCc1ncc2[nH]cnc2n1.Cl
InChIInChI=1S/C8H10N4.ClH/c1-2-3-7-9-4-6-8(12-7)11-5-10-6;/h4-5H,2-3H2,1H3,(H,9,10,11,12);1H
InChIKeySWMRJCLHCPFQNM-UHFFFAOYSA-N
MW198.66 g/mol
LogP1.73
Rot. Bonds2

About 2-propyl-7H-purine;hydrochloride

2-propyl-7H-purine;hydrochloride (PubChem CID 18353371) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 2-propyl-7H-purine;hydrochloride.

Molecular Properties

Compound Name2-propyl-7H-purine;hydrochloride
PubChem CID18353371
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name2-propyl-7H-purine;hydrochloride
SMILESCCCc1ncc2[nH]cnc2n1.Cl
InChIInChI=1S/C8H10N4.ClH/c1-2-3-7-9-4-6-8(12-7)11-5-10-6;/h4-5H,2-3H2,1H3,(H,9,10,11,12);1H
InChIKeySWMRJCLHCPFQNM-UHFFFAOYSA-N
XLogP1.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-7H-purine;hydrochloride?
The IUPAC name of 2-propyl-7H-purine;hydrochloride (CID 18353371) is 2-propyl-7H-purine;hydrochloride.
What is the SMILES notation for 2-propyl-7H-purine;hydrochloride?
The canonical SMILES for 2-propyl-7H-purine;hydrochloride is CCCc1ncc2[nH]cnc2n1.Cl.
What is the InChIKey of 2-propyl-7H-purine;hydrochloride?
The InChIKey is SWMRJCLHCPFQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4.ClH/c1-2-3-7-9-4-6-8(12-7)11-5-10-6;/h4-5H,2-3H2,1H3,(H,9,10,11,12);1H.
What are the key properties of 2-propyl-7H-purine;hydrochloride?
2-propyl-7H-purine;hydrochloride has a molecular weight of 198.66 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-7H-purine;hydrochloride is sourced from PubChem (CID 18353371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).