2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C7H9N3O2S — CID 135422870

IUPAC2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(N)=O)n1
InChIInChI=1S/C7H9N3O2S/c1-4-2-6(12)10-7(9-4)13-3-5(8)11/h2H,3H2,1H3,(H2,8,11)(H,9,10,12)
InChIKeyPFLOXVDQSMIVER-UHFFFAOYSA-N
MW199.23 g/mol
LogP-0.34
Rot. Bonds3

About 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135422870) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135422870
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(N)=O)n1
InChIInChI=1S/C7H9N3O2S/c1-4-2-6(12)10-7(9-4)13-3-5(8)11/h2H,3H2,1H3,(H2,8,11)(H,9,10,12)
InChIKeyPFLOXVDQSMIVER-UHFFFAOYSA-N
XLogP-0.34
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135422870) is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is Cc1cc(=O)[nH]c(SCC(N)=O)n1.
What is the InChIKey of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is PFLOXVDQSMIVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-4-2-6(12)10-7(9-4)13-3-5(8)11/h2H,3H2,1H3,(H2,8,11)(H,9,10,12).
What are the key properties of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 199.23 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135422870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).