8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride

C8H11ClN4O2 — CID 162308882

IUPAC8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride
SMILESCCCc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1.Cl
InChIInChI=1S/C8H10N4O2.ClH/c1-2-3-4-9-5-6(10-4)11-8(14)12-7(5)13;/h2-3H2,1H3,(H3,9,10,11,12,13,14);1H
InChIKeySLTXPZSFBABNKP-UHFFFAOYSA-N
MW230.65 g/mol
LogP0.31
Rot. Bonds2

About 8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride

8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride (PubChem CID 162308882) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.65 g/mol. Its IUPAC name is 8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride
PubChem CID162308882
Molecular FormulaC8H11ClN4O2
Molecular Weight230.65 g/mol
Exact Mass230.06
IUPAC Name8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride
SMILESCCCc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1.Cl
InChIInChI=1S/C8H10N4O2.ClH/c1-2-3-4-9-5-6(10-4)11-8(14)12-7(5)13;/h2-3H2,1H3,(H3,9,10,11,12,13,14);1H
InChIKeySLTXPZSFBABNKP-UHFFFAOYSA-N
XLogP0.31
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

8-(hydroxymethyl)-3,7-dihydropurine-2,6-dione
CID 115647659
8-(3-chloropropyl)-3,7-dihydropurine-2,6-dione
CID 114402437
8-(7-hydroxyheptyl)-3,7-dihydropurine-2,6-dione
CID 54052598
8-butyl-2-sulfanylidene-3,7-dihydropurin-6-one
CID 70978513
8-(propan-2-yloxymethyl)-3,7-dihydropurine-2,6-dione
CID 114403027
8-[3-(2-aminoethyl)-4,4-dimethylpentyl]-3,7-dihydropurine-2,6-dione
CID 114402156
8-(2-piperidin-4-ylethyl)-3,7-dihydropurine-2,6-dione
CID 114402403
8-[2-(2-aminophenyl)ethyl]-3,7-dihydropurine-2,6-dione
CID 107272712
8-benzyl-3,7-dihydropurine-2,6-dione
CID 18435695
8-(3-amino-3-phenylpropyl)-3,7-dihydropurine-2,6-dione
CID 114402191
8-[2-(3-aminophenyl)ethyl]-3,7-dihydropurine-2,6-dione
CID 114402262
8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione
CID 103154029

Frequently Asked Questions

What is the IUPAC name of 8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride?
The IUPAC name of 8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride (CID 162308882) is 8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride.
What is the SMILES notation for 8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride?
The canonical SMILES for 8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride is CCCc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1.Cl.
What is the InChIKey of 8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride?
The InChIKey is SLTXPZSFBABNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2.ClH/c1-2-3-4-9-5-6(10-4)11-8(14)12-7(5)13;/h2-3H2,1H3,(H3,9,10,11,12,13,14);1H.
What are the key properties of 8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride?
8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride has a molecular weight of 230.65 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride is sourced from PubChem (CID 162308882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).