8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one

C14H20N4OS — CID 10469601

IUPAC8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one
SMILESCCCn1c(=O)nc(SC)c2[nH]c(C3CCCC3)nc21
InChIInChI=1S/C14H20N4OS/c1-3-8-18-12-10(13(20-2)17-14(18)19)15-11(16-12)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyVEEVYNZGTVCIGH-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.91
Rot. Bonds4

About 8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one

8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one (PubChem CID 10469601) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one.

Molecular Properties

Compound Name8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one
PubChem CID10469601
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one
SMILESCCCn1c(=O)nc(SC)c2[nH]c(C3CCCC3)nc21
InChIInChI=1S/C14H20N4OS/c1-3-8-18-12-10(13(20-2)17-14(18)19)15-11(16-12)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyVEEVYNZGTVCIGH-UHFFFAOYSA-N
XLogP2.91
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one?
The IUPAC name of 8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one (CID 10469601) is 8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one.
What is the SMILES notation for 8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one?
The canonical SMILES for 8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one is CCCn1c(=O)nc(SC)c2[nH]c(C3CCCC3)nc21.
What is the InChIKey of 8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one?
The InChIKey is VEEVYNZGTVCIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-8-18-12-10(13(20-2)17-14(18)19)15-11(16-12)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one?
8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one has a molecular weight of 292.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one is sourced from PubChem (CID 10469601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).