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

C14H17N5O7S — CID 67755874

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethoxy-2-oxo-3-pyridinyl)sulfonyl]urea
SMILESCCOn1cccc(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1=O
InChIInChI=1S/C14H17N5O7S/c1-4-26-19-7-5-6-9(12(19)20)27(22,23)18-14(21)17-13-15-10(24-2)8-11(16-13)25-3/h5-8H,4H2,1-3H3,(H2,15,16,17,18,21)
InChIKeyKJNIMFIGZJGPFI-UHFFFAOYSA-N
MW399.39 g/mol
LogP-0.39
Rot. Bonds7

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

1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethoxy-2-oxo-3-pyridinyl)sulfonyl]urea (PubChem CID 67755874) has the molecular formula C14H17N5O7S and a molecular weight of 399.39 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethoxy-2-oxo-3-pyridinyl)sulfonyl]urea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethoxy-2-oxo-3-pyridinyl)sulfonyl]urea
PubChem CID67755874
Molecular FormulaC14H17N5O7S
Molecular Weight399.39 g/mol
Exact Mass399.08
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethoxy-2-oxo-3-pyridinyl)sulfonyl]urea
SMILESCCOn1cccc(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1=O
InChIInChI=1S/C14H17N5O7S/c1-4-26-19-7-5-6-9(12(19)20)27(22,23)18-14(21)17-13-15-10(24-2)8-11(16-13)25-3/h5-8H,4H2,1-3H3,(H2,15,16,17,18,21)
InChIKeyKJNIMFIGZJGPFI-UHFFFAOYSA-N
XLogP-0.39
TPSA150.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 5-0.39
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-[(1-ethoxy-2-oxo-3-pyridinyl)sulfonyl]urea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethoxy-2-oxo-3-pyridinyl)sulfonyl]urea (CID 67755874) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethoxy-2-oxo-3-pyridinyl)sulfonyl]urea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethoxy-2-oxo-3-pyridinyl)sulfonyl]urea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethoxy-2-oxo-3-pyridinyl)sulfonyl]urea is CCOn1cccc(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-ethoxy-2-oxo-3-pyridinyl)sulfonyl]urea?
The InChIKey is KJNIMFIGZJGPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O7S/c1-4-26-19-7-5-6-9(12(19)20)27(22,23)18-14(21)17-13-15-10(24-2)8-11(16-13)25-3/h5-8H,4H2,1-3H3,(H2,15,16,17,18,21).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethoxy-2-oxo-3-pyridinyl)sulfonyl]urea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1-ethoxy-2-oxo-3-pyridinyl)sulfonyl]urea has a molecular weight of 399.39 g/mol, XLogP of -0.39, 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-ethoxy-2-oxo-3-pyridinyl)sulfonyl]urea is sourced from PubChem (CID 67755874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).