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

C9H14N2O2S — CID 63611441

IUPAC4-hydroxy-2-(methylsulfanylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCSCc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-5(2)7-8(12)10-6(4-14-3)11-9(7)13/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyYYBIZHIPRVVHJO-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.46
Rot. Bonds3

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

4-hydroxy-2-(methylsulfanylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63611441) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-hydroxy-2-(methylsulfanylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(methylsulfanylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63611441
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-hydroxy-2-(methylsulfanylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCSCc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-5(2)7-8(12)10-6(4-14-3)11-9(7)13/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyYYBIZHIPRVVHJO-UHFFFAOYSA-N
XLogP1.46
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(2-methylsulfanylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 168073409
2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 713223
N-tert-butyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 1073907
N-tert-butyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 1073919
N-Butyl-2-[(4-hydroxy-5-isopropyl-6-oxo-1H-pyrimidin-2-YL)sulfanyl]acetamide
CID 3149858
6-Hydroxy-5-isopropyl-2-methylpyrimidin-4(1H)-one
CID 25421328
2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613803
5-ethyl-4-hydroxy-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one
CID 16203881
5-ethyl-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
CID 16204294
2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734407
5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one
CID 46734449
2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611774

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(methylsulfanylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(methylsulfanylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 63611441) is 4-hydroxy-2-(methylsulfanylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(methylsulfanylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(methylsulfanylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one is CSCc1nc(O)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(methylsulfanylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is YYBIZHIPRVVHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-5(2)7-8(12)10-6(4-14-3)11-9(7)13/h5H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-(methylsulfanylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(methylsulfanylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 214.29 g/mol, XLogP of 1.46, 3 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63611441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).