6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C8H11N3OS — CID 24907135

IUPAC6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCc2[nH]c(=S)[nH]c(=O)c2C1
InChIInChI=1S/C8H11N3OS/c1-11-3-2-6-5(4-11)7(12)10-8(13)9-6/h2-4H2,1H3,(H2,9,10,12,13)
InChIKeyWVDLXSUPURAILH-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.42
Rot. Bonds

About 6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 24907135) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID24907135
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCc2[nH]c(=S)[nH]c(=O)c2C1
InChIInChI=1S/C8H11N3OS/c1-11-3-2-6-5(4-11)7(12)10-8(13)9-6/h2-4H2,1H3,(H2,9,10,12,13)
InChIKeyWVDLXSUPURAILH-UHFFFAOYSA-N
XLogP0.42
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 24907135) is 6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CN1CCc2[nH]c(=S)[nH]c(=O)c2C1.
What is the InChIKey of 6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is WVDLXSUPURAILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-11-3-2-6-5(4-11)7(12)10-8(13)9-6/h2-4H2,1H3,(H2,9,10,12,13).
What are the key properties of 6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 197.26 g/mol, XLogP of 0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 24907135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).