8-cyclohexyl-3-propyl-7H-purine-2,6-dione

C14H20N4O2 — CID 15627851

IUPAC8-cyclohexyl-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(C3CCCCC3)nc21
InChIInChI=1S/C14H20N4O2/c1-2-8-18-12-10(13(19)17-14(18)20)15-11(16-12)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,15,16)(H,17,19,20)
InChIKeyZDNILTNYWAZWBW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.87
Rot. Bonds3

About 8-cyclohexyl-3-propyl-7H-purine-2,6-dione

8-cyclohexyl-3-propyl-7H-purine-2,6-dione (PubChem CID 15627851) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 8-cyclohexyl-3-propyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-cyclohexyl-3-propyl-7H-purine-2,6-dione
PubChem CID15627851
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name8-cyclohexyl-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(C3CCCCC3)nc21
InChIInChI=1S/C14H20N4O2/c1-2-8-18-12-10(13(19)17-14(18)20)15-11(16-12)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,15,16)(H,17,19,20)
InChIKeyZDNILTNYWAZWBW-UHFFFAOYSA-N
XLogP1.87
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-3-propyl-7H-purine-2,6-dione?
The IUPAC name of 8-cyclohexyl-3-propyl-7H-purine-2,6-dione (CID 15627851) is 8-cyclohexyl-3-propyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-cyclohexyl-3-propyl-7H-purine-2,6-dione?
The canonical SMILES for 8-cyclohexyl-3-propyl-7H-purine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2[nH]c(C3CCCCC3)nc21.
What is the InChIKey of 8-cyclohexyl-3-propyl-7H-purine-2,6-dione?
The InChIKey is ZDNILTNYWAZWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-8-18-12-10(13(19)17-14(18)20)15-11(16-12)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,15,16)(H,17,19,20).
What are the key properties of 8-cyclohexyl-3-propyl-7H-purine-2,6-dione?
8-cyclohexyl-3-propyl-7H-purine-2,6-dione has a molecular weight of 276.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-3-propyl-7H-purine-2,6-dione is sourced from PubChem (CID 15627851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).