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

C13H15N5O6S — CID 67756018

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-methyl-4-oxo-3-pyridinyl)sulfonyl]urea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cn(C)ccc2=O)n1
InChIInChI=1S/C13H15N5O6S/c1-18-5-4-8(19)9(7-18)25(21,22)17-13(20)16-12-14-10(23-2)6-11(15-12)24-3/h4-7H,1-3H3,(H2,14,15,16,17,20)
InChIKeyRFSSCDDJYZOYJY-UHFFFAOYSA-N
MW369.36 g/mol
LogP-0.30
Rot. Bonds5

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

1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-methyl-4-oxo-3-pyridinyl)sulfonyl]urea (PubChem CID 67756018) has the molecular formula C13H15N5O6S and a molecular weight of 369.36 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-methyl-4-oxo-3-pyridinyl)sulfonyl]urea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-methyl-4-oxo-3-pyridinyl)sulfonyl]urea
PubChem CID67756018
Molecular FormulaC13H15N5O6S
Molecular Weight369.36 g/mol
Exact Mass369.07
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-methyl-4-oxo-3-pyridinyl)sulfonyl]urea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cn(C)ccc2=O)n1
InChIInChI=1S/C13H15N5O6S/c1-18-5-4-8(19)9(7-18)25(21,22)17-13(20)16-12-14-10(23-2)6-11(15-12)24-3/h4-7H,1-3H3,(H2,14,15,16,17,20)
InChIKeyRFSSCDDJYZOYJY-UHFFFAOYSA-N
XLogP-0.30
TPSA141.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-methyl-4-oxo-3-pyridinyl)sulfonyl]urea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-methyl-4-oxo-3-pyridinyl)sulfonyl]urea (CID 67756018) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-methyl-4-oxo-3-pyridinyl)sulfonyl]urea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-methyl-4-oxo-3-pyridinyl)sulfonyl]urea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-methyl-4-oxo-3-pyridinyl)sulfonyl]urea is COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cn(C)ccc2=O)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-methyl-4-oxo-3-pyridinyl)sulfonyl]urea?
The InChIKey is RFSSCDDJYZOYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O6S/c1-18-5-4-8(19)9(7-18)25(21,22)17-13(20)16-12-14-10(23-2)6-11(15-12)24-3/h4-7H,1-3H3,(H2,14,15,16,17,20).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-methyl-4-oxo-3-pyridinyl)sulfonyl]urea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-methyl-4-oxo-3-pyridinyl)sulfonyl]urea has a molecular weight of 369.36 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-methyl-4-oxo-3-pyridinyl)sulfonyl]urea is sourced from PubChem (CID 67756018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).