1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea

C15H19N5O6S2 — CID 67756080

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea
SMILESCCn1ccc(SC)c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1=O
InChIInChI=1S/C15H19N5O6S2/c1-5-20-7-6-9(27-4)12(13(20)21)28(23,24)19-15(22)18-14-16-10(25-2)8-11(17-14)26-3/h6-8H,5H2,1-4H3,(H2,16,17,18,19,22)
InChIKeyTUMWRAMQWIBTJJ-UHFFFAOYSA-N
MW429.48 g/mol
LogP0.91
Rot. Bonds7

About 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea

1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea (PubChem CID 67756080) has the molecular formula C15H19N5O6S2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea
PubChem CID67756080
Molecular FormulaC15H19N5O6S2
Molecular Weight429.48 g/mol
Exact Mass429.08
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea
SMILESCCn1ccc(SC)c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1=O
InChIInChI=1S/C15H19N5O6S2/c1-5-20-7-6-9(27-4)12(13(20)21)28(23,24)19-15(22)18-14-16-10(25-2)8-11(17-14)26-3/h6-8H,5H2,1-4H3,(H2,16,17,18,19,22)
InChIKeyTUMWRAMQWIBTJJ-UHFFFAOYSA-N
XLogP0.91
TPSA141.51 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea (CID 67756080) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea is CCn1ccc(SC)c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1=O.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea?
The InChIKey is TUMWRAMQWIBTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O6S2/c1-5-20-7-6-9(27-4)12(13(20)21)28(23,24)19-15(22)18-14-16-10(25-2)8-11(17-14)26-3/h6-8H,5H2,1-4H3,(H2,16,17,18,19,22).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea has a molecular weight of 429.48 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethyl-4-methylsulfanyl-2-oxo-3-pyridinyl)sulfonyl]urea is sourced from PubChem (CID 67756080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).