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

C16H21N5O7S — CID 67756352

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-[(4-ethoxy-1-ethyl-2-oxo-3-pyridinyl)sulfonyl]urea
SMILESCCOc1ccn(CC)c(=O)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C16H21N5O7S/c1-5-21-8-7-10(28-6-2)13(14(21)22)29(24,25)20-16(23)19-15-17-11(26-3)9-12(18-15)27-4/h7-9H,5-6H2,1-4H3,(H2,17,18,19,20,23)
InChIKeyZOIHBXDJHZDLAM-UHFFFAOYSA-N
MW427.44 g/mol
LogP0.58
Rot. Bonds8

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

1-(4,6-dimethoxypyrimidin-2-yl)-3-[(4-ethoxy-1-ethyl-2-oxo-3-pyridinyl)sulfonyl]urea (PubChem CID 67756352) has the molecular formula C16H21N5O7S and a molecular weight of 427.44 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(4-ethoxy-1-ethyl-2-oxo-3-pyridinyl)sulfonyl]urea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[(4-ethoxy-1-ethyl-2-oxo-3-pyridinyl)sulfonyl]urea
PubChem CID67756352
Molecular FormulaC16H21N5O7S
Molecular Weight427.44 g/mol
Exact Mass427.12
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[(4-ethoxy-1-ethyl-2-oxo-3-pyridinyl)sulfonyl]urea
SMILESCCOc1ccn(CC)c(=O)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C16H21N5O7S/c1-5-21-8-7-10(28-6-2)13(14(21)22)29(24,25)20-16(23)19-15-17-11(26-3)9-12(18-15)27-4/h7-9H,5-6H2,1-4H3,(H2,17,18,19,20,23)
InChIKeyZOIHBXDJHZDLAM-UHFFFAOYSA-N
XLogP0.58
TPSA150.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(4-ethoxy-1-ethyl-2-oxo-3-pyridinyl)sulfonyl]urea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(4-ethoxy-1-ethyl-2-oxo-3-pyridinyl)sulfonyl]urea (CID 67756352) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(4-ethoxy-1-ethyl-2-oxo-3-pyridinyl)sulfonyl]urea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(4-ethoxy-1-ethyl-2-oxo-3-pyridinyl)sulfonyl]urea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(4-ethoxy-1-ethyl-2-oxo-3-pyridinyl)sulfonyl]urea is CCOc1ccn(CC)c(=O)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(4-ethoxy-1-ethyl-2-oxo-3-pyridinyl)sulfonyl]urea?
The InChIKey is ZOIHBXDJHZDLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O7S/c1-5-21-8-7-10(28-6-2)13(14(21)22)29(24,25)20-16(23)19-15-17-11(26-3)9-12(18-15)27-4/h7-9H,5-6H2,1-4H3,(H2,17,18,19,20,23).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(4-ethoxy-1-ethyl-2-oxo-3-pyridinyl)sulfonyl]urea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(4-ethoxy-1-ethyl-2-oxo-3-pyridinyl)sulfonyl]urea has a molecular weight of 427.44 g/mol, XLogP of 0.58, 8 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-[(4-ethoxy-1-ethyl-2-oxo-3-pyridinyl)sulfonyl]urea is sourced from PubChem (CID 67756352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).