8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione

C18H26N4O2 — CID 10359295

IUPAC8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(C3CC4CCC3C4)nc2n(CCC)c1=O
InChIInChI=1S/C18H26N4O2/c1-3-7-21-16-14(17(23)22(8-4-2)18(21)24)19-15(20-16)13-10-11-5-6-12(13)9-11/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyHYCKHKJSMKSLHS-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.61
Rot. Bonds5

About 8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione

8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 10359295) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID10359295
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(C3CC4CCC3C4)nc2n(CCC)c1=O
InChIInChI=1S/C18H26N4O2/c1-3-7-21-16-14(17(23)22(8-4-2)18(21)24)19-15(20-16)13-10-11-5-6-12(13)9-11/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyHYCKHKJSMKSLHS-UHFFFAOYSA-N
XLogP2.61
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of 8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione (CID 10359295) is 8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(C3CC4CCC3C4)nc2n(CCC)c1=O.
What is the InChIKey of 8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is HYCKHKJSMKSLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-7-21-16-14(17(23)22(8-4-2)18(21)24)19-15(20-16)13-10-11-5-6-12(13)9-11/h11-13H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione?
8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 330.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 10359295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).