6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one

C7H10N2O2S — CID 25421254

IUPAC6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCC(C)c1c(O)[nH]c(=S)[nH]c1=O
InChIInChI=1S/C7H10N2O2S/c1-3(2)4-5(10)8-7(12)9-6(4)11/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKeyTWEYMXYSHLKCOO-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.26
Rot. Bonds1

About 6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one

6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 25421254) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID25421254
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCC(C)c1c(O)[nH]c(=S)[nH]c1=O
InChIInChI=1S/C7H10N2O2S/c1-3(2)4-5(10)8-7(12)9-6(4)11/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKeyTWEYMXYSHLKCOO-UHFFFAOYSA-N
XLogP1.26
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-Hydroxy-5-(methylpropyl)-2-sulfanyl-3-hydropyrimidin-4-one
CID 2843975
5-Butyl-2-sulfanylpyrimidine-4,6-diol
CID 1799597
5-tert-butyl-6-hydroxy-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
CID 2272696
pyrimidin-4(1H)-one, 2,3-dihydro-6-hydroxy-5-(1-methylbutyl)-2-thioxo-
CID 155920339
2-Mercapto-5-methylpyrimidine-4,6-diol
CID 18713861
5-acetyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 137154960
5-Ethyl-2-mercapto-4,6-pyrimidinediol
CID 3410065
6-Hydroxy-5-[2(methylsulfanyl)ethyl]-2-thiouracil
CID 155920331
6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 14269678
N-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide
CID 21484602
1,5-Diethyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 54174745
5-Ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one
CID 57307316

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one (CID 25421254) is 6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one is CC(C)c1c(O)[nH]c(=S)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is TWEYMXYSHLKCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3(2)4-5(10)8-7(12)9-6(4)11/h3H,1-2H3,(H3,8,9,10,11,12).
What are the key properties of 6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one?
6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 186.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 25421254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).