2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide

C7H9N3O2S — CID 87721333

IUPAC2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=S)[nH]c(=O)c1CC(N)=O
InChIInChI=1S/C7H9N3O2S/c1-3-4(2-5(8)11)6(12)10-7(13)9-3/h2H2,1H3,(H2,8,11)(H2,9,10,12,13)
InChIKeyNMDSNGKHPBMKOK-UHFFFAOYSA-N
MW199.23 g/mol
LogP-0.23
Rot. Bonds2

About 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide

2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide (PubChem CID 87721333) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide
PubChem CID87721333
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC Name2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=S)[nH]c(=O)c1CC(N)=O
InChIInChI=1S/C7H9N3O2S/c1-3-4(2-5(8)11)6(12)10-7(13)9-3/h2H2,1H3,(H2,8,11)(H2,9,10,12,13)
InChIKeyNMDSNGKHPBMKOK-UHFFFAOYSA-N
XLogP-0.23
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
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 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide (CID 87721333) is 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide is Cc1[nH]c(=S)[nH]c(=O)c1CC(N)=O.
What is the InChIKey of 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide?
The InChIKey is NMDSNGKHPBMKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-3-4(2-5(8)11)6(12)10-7(13)9-3/h2H2,1H3,(H2,8,11)(H2,9,10,12,13).
What are the key properties of 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide?
2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide has a molecular weight of 199.23 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 87721333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).