6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one

C9H8N4OS — CID 121205575

IUPAC6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCc1cnc(-c2cc(=O)[nH]c(=S)[nH]2)cn1
InChIInChI=1S/C9H8N4OS/c1-5-3-11-7(4-10-5)6-2-8(14)13-9(15)12-6/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyDUMRSCBYODBGEC-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.20
Rot. Bonds1

About 6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one

6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 121205575) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is 6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID121205575
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCc1cnc(-c2cc(=O)[nH]c(=S)[nH]2)cn1
InChIInChI=1S/C9H8N4OS/c1-5-3-11-7(4-10-5)6-2-8(14)13-9(15)12-6/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyDUMRSCBYODBGEC-UHFFFAOYSA-N
XLogP1.20
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione
CID 122239145
6-(113C)methyl-2-sulfanylidene-(4,5,6-13C3)1H-pyrimidin-4-one
CID 169443936
6-(3-methylimidazol-4-yl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 130938653
6-(4-bromophenyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 13370964
2-methyl-5-(3-pyridin-3-yl-1H-pyrazol-5-yl)pyrazine
CID 141253813
2,5-dimethylpyrazine;hydrochloride
CID 160725136
2,5-dimethylpyrazine;ethane
CID 143125119
6-(1-methylindol-3-yl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 146673831
6-(5-fluoro-2-pyridinyl)-1H-pyrimidine-2,4-dione
CID 83128935
6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 801338
2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136874984
6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;2,2,3,3-tetrachlorothiirane
CID 21444428

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one (CID 121205575) is 6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one is Cc1cnc(-c2cc(=O)[nH]c(=S)[nH]2)cn1.
What is the InChIKey of 6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is DUMRSCBYODBGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c1-5-3-11-7(4-10-5)6-2-8(14)13-9(15)12-6/h2-4H,1H3,(H2,12,13,14,15).
What are the key properties of 6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one?
6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 220.26 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylpyrazin-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 121205575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).