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

C10H9N3O2S — CID 155712634

IUPAC6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(=S)[nH]c2[nH]c1=O
InChIInChI=1S/C10H9N3O2S/c1-4-6-3-11-10(16)13-8(6)12-9(15)7(4)5(2)14/h3H,1-2H3,(H2,11,12,13,15,16)
InChIKeyCFRXFSYKIRHSFE-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.49
Rot. Bonds1

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

6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 155712634) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID155712634
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(=S)[nH]c2[nH]c1=O
InChIInChI=1S/C10H9N3O2S/c1-4-6-3-11-10(16)13-8(6)12-9(15)7(4)5(2)14/h3H,1-2H3,(H2,11,12,13,15,16)
InChIKeyCFRXFSYKIRHSFE-UHFFFAOYSA-N
XLogP1.49
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.49
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

CID 155629314
CID 155629314
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3-acetyl-4,5-dimethyl-1H-pyridin-2-one
CID 14841769
2-(6-methyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 83817339
2-acetyl-3-methylcycloprop-2-en-1-one
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1-(3-bromo-5-methyl-4-pyridinyl)ethanone
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5-methyl-1H-pyrimido[4,5-b]quinoline-2-thione
CID 10577431
5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one
CID 137195237
ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 166831298
1-(2,6-dimethyl-4-sulfanylidene-1H-pyrimidin-5-yl)ethanone
CID 22110117
7,9-dihydro-3H-purine-2,8-dithione
CID 3356743

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one (CID 155712634) is 6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(=S)[nH]c2[nH]c1=O.
What is the InChIKey of 6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CFRXFSYKIRHSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-4-6-3-11-10(16)13-8(6)12-9(15)7(4)5(2)14/h3H,1-2H3,(H2,11,12,13,15,16).
What are the key properties of 6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one?
6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 235.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 155712634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).