6-methyl-2-sulfanylidene-1H-pyrimidin-4-one

C5H6N2OS — CID 667493

💊View drug profile → methylthiouracil
IUPAC6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCc1cc(=O)[nH]c(=S)[nH]1
InChIInChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
InChIKeyHWGBHCRJGXAGEU-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.74
Rot. Bonds

About 6-methyl-2-sulfanylidene-1H-pyrimidin-4-one

6-methyl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 667493) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 6-methyl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID667493
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCc1cc(=O)[nH]c(=S)[nH]1
InChIInChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
InChIKeyHWGBHCRJGXAGEU-UHFFFAOYSA-N
XLogP0.74
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Propylthiouracil
CID 657298
6-Trifluoromethyl-2-thiouracil
CID 1239796
6-Amino-2-thiouracil
CID 1201441
6-Ethyl-4-hydroxy-2-mercaptopyrimidine
CID 2730572
6-Isopropyl-2-mercaptopyrimidin-4-OL
CID 3034510
6-(Fluoromethyl)-2-mercapto-4-pyrimidinol
CID 3246120
6-(1-fluoroethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 11816149
6-(Difluoromethyl)-4-hydroxypyrimidine-2(1H)-thione
CID 22086189
1-Methyl-2-sulfanylidene-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one
CID 22340989
5-Fluoro-6-methyl-2-sulfanylpyrimidin-4-ol
CID 90936871
6-(2-fluoroethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 143946350
6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium
CID 54601608

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-methyl-2-sulfanylidene-1H-pyrimidin-4-one (CID 667493) is 6-methyl-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-sulfanylidene-1H-pyrimidin-4-one is Cc1cc(=O)[nH]c(=S)[nH]1.
What is the InChIKey of 6-methyl-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is HWGBHCRJGXAGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9).
What are the key properties of 6-methyl-2-sulfanylidene-1H-pyrimidin-4-one?
6-methyl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 142.18 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 667493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).