8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione

C13H18N4O2 — CID 112568895

IUPAC8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(C(C)C3CC3)nc21
InChIInChI=1S/C13H18N4O2/c1-3-6-17-11-9(12(18)16-13(17)19)14-10(15-11)7(2)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,14,15)(H,16,18,19)
InChIKeyTVZYFRFQZHNYCH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.34
Rot. Bonds4

About 8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione

8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione (PubChem CID 112568895) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione
PubChem CID112568895
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(C(C)C3CC3)nc21
InChIInChI=1S/C13H18N4O2/c1-3-6-17-11-9(12(18)16-13(17)19)14-10(15-11)7(2)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,14,15)(H,16,18,19)
InChIKeyTVZYFRFQZHNYCH-UHFFFAOYSA-N
XLogP1.34
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione
CID 82465287
8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione
CID 115925466
8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione
CID 112568856
8-(dicyclopropylmethyl)-1-(111C)methyl-3-propyl-7H-purine-2,6-dione
CID 5461877
8-(1-ethylcyclopentyl)-3-propyl-7H-purine-2,6-dione
CID 115925532
8-(dicyclopropylmethyl)-6-methylsulfanyl-3-propyl-7H-purin-2-one
CID 57119812
8-(1-aminoethyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione
CID 82465427
8-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione
CID 167939861
8-bromo-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 82465354
8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione
CID 82465307
8-(3-ethylthiophen-2-yl)-3-propyl-7H-purine-2,6-dione
CID 115925490
8-(4-chlorophenyl)-3-propyl-7H-purine-2,6-dione
CID 91980635

Frequently Asked Questions

What is the IUPAC name of 8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione?
The IUPAC name of 8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione (CID 112568895) is 8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2[nH]c(C(C)C3CC3)nc21.
What is the InChIKey of 8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione?
The InChIKey is TVZYFRFQZHNYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-6-17-11-9(12(18)16-13(17)19)14-10(15-11)7(2)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,14,15)(H,16,18,19).
What are the key properties of 8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione?
8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione has a molecular weight of 262.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione is sourced from PubChem (CID 112568895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).