4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one

C9H14N2O2S — CID 63613458

IUPAC4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CSC)[nH]c1=O
InChIInChI=1S/C9H14N2O2S/c1-3-4-6-8(12)10-7(5-14-2)11-9(6)13/h3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyULZBWMJUWRMVGB-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.29
Rot. Bonds4

About 4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one

4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 63613458) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one
PubChem CID63613458
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CSC)[nH]c1=O
InChIInChI=1S/C9H14N2O2S/c1-3-4-6-8(12)10-7(5-14-2)11-9(6)13/h3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyULZBWMJUWRMVGB-UHFFFAOYSA-N
XLogP1.29
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one (CID 63613458) is 4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(CSC)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is ULZBWMJUWRMVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-4-6-8(12)10-7(5-14-2)11-9(6)13/h3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 214.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63613458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).