5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one

C12H18N2O2S — CID 112569337

IUPAC5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCSCc1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C12H18N2O2S/c1-2-17-7-9-13-11(15)10(12(16)14-9)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyIUOCAOXVDXOMTO-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.39
Rot. Bonds4

About 5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one

5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 112569337) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID112569337
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCSCc1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C12H18N2O2S/c1-2-17-7-9-13-11(15)10(12(16)14-9)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyIUOCAOXVDXOMTO-UHFFFAOYSA-N
XLogP2.39
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one (CID 112569337) is 5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one is CCSCc1nc(O)c(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is IUOCAOXVDXOMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-17-7-9-13-11(15)10(12(16)14-9)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 254.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 112569337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).