8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione

C12H16N4O3 — CID 112568856

IUPAC8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(C3CCCO3)nc21
InChIInChI=1S/C12H16N4O3/c1-2-5-16-10-8(11(17)15-12(16)18)13-9(14-10)7-4-3-6-19-7/h7H,2-6H2,1H3,(H,13,14)(H,15,17,18)
InChIKeyCSPMYEQEYLUMQJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.67
Rot. Bonds3

About 8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione

8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione (PubChem CID 112568856) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione
PubChem CID112568856
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(C3CCCO3)nc21
InChIInChI=1S/C12H16N4O3/c1-2-5-16-10-8(11(17)15-12(16)18)13-9(14-10)7-4-3-6-19-7/h7H,2-6H2,1H3,(H,13,14)(H,15,17,18)
InChIKeyCSPMYEQEYLUMQJ-UHFFFAOYSA-N
XLogP0.67
TPSA92.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione
CID 115925466
3-butyl-8-pyrrolidin-2-yl-7H-purine-2,6-dione
CID 82465375
8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione
CID 112568895
8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione
CID 82465287
8-(1-ethylcyclopentyl)-3-propyl-7H-purine-2,6-dione
CID 115925532
4-hydroxy-2-(oxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 65331631
8-(4-chlorophenyl)-3-propyl-7H-purine-2,6-dione
CID 91980635
methyl 4-(8-cyclopentyl-2,6-dioxo-7H-purin-3-yl)butanoate
CID 174295382
8-cyclopentyl-1,3-dipropyl-6-sulfanylidene-7H-purin-2-one
CID 19382381
8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione
CID 167939861
8-[1-(oxolan-3-ylmethyl)triazol-4-yl]-3-propyl-7H-purine-2,6-dione
CID 167883001
8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione
CID 82465307

Frequently Asked Questions

What is the IUPAC name of 8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione?
The IUPAC name of 8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione (CID 112568856) is 8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2[nH]c(C3CCCO3)nc21.
What is the InChIKey of 8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione?
The InChIKey is CSPMYEQEYLUMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-2-5-16-10-8(11(17)15-12(16)18)13-9(14-10)7-4-3-6-19-7/h7H,2-6H2,1H3,(H,13,14)(H,15,17,18).
What are the key properties of 8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione?
8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione has a molecular weight of 264.28 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione is sourced from PubChem (CID 112568856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).