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

C15H19N5O6S — CID 15857748

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2-oxo-1-propyl-3-pyridinyl)sulfonyl]urea
SMILESCCCn1cccc(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1=O
InChIInChI=1S/C15H19N5O6S/c1-4-7-20-8-5-6-10(13(20)21)27(23,24)19-15(22)18-14-16-11(25-2)9-12(17-14)26-3/h5-6,8-9H,4,7H2,1-3H3,(H2,16,17,18,19,22)
InChIKeyCYGLLOUUKANZAZ-UHFFFAOYSA-N
MW397.41 g/mol
LogP0.58
Rot. Bonds7

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

1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2-oxo-1-propyl-3-pyridinyl)sulfonyl]urea (PubChem CID 15857748) has the molecular formula C15H19N5O6S and a molecular weight of 397.41 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2-oxo-1-propyl-3-pyridinyl)sulfonyl]urea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2-oxo-1-propyl-3-pyridinyl)sulfonyl]urea
PubChem CID15857748
Molecular FormulaC15H19N5O6S
Molecular Weight397.41 g/mol
Exact Mass397.11
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2-oxo-1-propyl-3-pyridinyl)sulfonyl]urea
SMILESCCCn1cccc(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1=O
InChIInChI=1S/C15H19N5O6S/c1-4-7-20-8-5-6-10(13(20)21)27(23,24)19-15(22)18-14-16-11(25-2)9-12(17-14)26-3/h5-6,8-9H,4,7H2,1-3H3,(H2,16,17,18,19,22)
InChIKeyCYGLLOUUKANZAZ-UHFFFAOYSA-N
XLogP0.58
TPSA141.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 50.58
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-[(2-oxo-1-propyl-3-pyridinyl)sulfonyl]urea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2-oxo-1-propyl-3-pyridinyl)sulfonyl]urea (CID 15857748) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2-oxo-1-propyl-3-pyridinyl)sulfonyl]urea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2-oxo-1-propyl-3-pyridinyl)sulfonyl]urea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2-oxo-1-propyl-3-pyridinyl)sulfonyl]urea is CCCn1cccc(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1=O.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2-oxo-1-propyl-3-pyridinyl)sulfonyl]urea?
The InChIKey is CYGLLOUUKANZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O6S/c1-4-7-20-8-5-6-10(13(20)21)27(23,24)19-15(22)18-14-16-11(25-2)9-12(17-14)26-3/h5-6,8-9H,4,7H2,1-3H3,(H2,16,17,18,19,22).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2-oxo-1-propyl-3-pyridinyl)sulfonyl]urea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2-oxo-1-propyl-3-pyridinyl)sulfonyl]urea has a molecular weight of 397.41 g/mol, XLogP of 0.58, 7 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-[(2-oxo-1-propyl-3-pyridinyl)sulfonyl]urea is sourced from PubChem (CID 15857748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).