1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea

C16H20N6O6S — CID 13138211

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea
SMILESCNC(=O)Nc1ccc(C)c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1
InChIInChI=1S/C16H20N6O6S/c1-9-5-6-10(18-15(23)17-2)7-11(9)29(25,26)22-16(24)21-14-19-12(27-3)8-13(20-14)28-4/h5-8H,1-4H3,(H2,17,18,23)(H2,19,20,21,22,24)
InChIKeyQSWIAROEPQIDBA-UHFFFAOYSA-N
MW424.44 g/mol
LogP1.06
Rot. Bonds6

About 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea

1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea (PubChem CID 13138211) has the molecular formula C16H20N6O6S and a molecular weight of 424.44 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea
PubChem CID13138211
Molecular FormulaC16H20N6O6S
Molecular Weight424.44 g/mol
Exact Mass424.12
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea
SMILESCNC(=O)Nc1ccc(C)c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1
InChIInChI=1S/C16H20N6O6S/c1-9-5-6-10(18-15(23)17-2)7-11(9)29(25,26)22-16(24)21-14-19-12(27-3)8-13(20-14)28-4/h5-8H,1-4H3,(H2,17,18,23)(H2,19,20,21,22,24)
InChIKeyQSWIAROEPQIDBA-UHFFFAOYSA-N
XLogP1.06
TPSA160.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea with MolForge

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Related Compounds

Foramsulfuron
CID 11419598
N-(4-(((4,6-Dimethoxy-2-pyrimidinyl)amino)sulfonyl)phenyl)acetamide
CID 168167
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-3-formamido-N,N-dimethylbenzamide
CID 213014
5-amino-N-[(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl]-2-dimethylaminocarbonylbenzenesulfonamide
CID 10862795
4-{[(cyclohexylamino)carbonyl]amino}-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide
CID 1051582
N-Cyclopropylmethyl-4-(4,6-dimethoxy-pyrimidin-2-ylamino)-2-trifluoromethyl-benzenesulfonamide
CID 24948181
1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-methyl-4-oxo-quinazolin-5-yl)sulfonyl-urea
CID 388035
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(1,1-dioxo-2-propan-2-yl-3H-1,2-benzothiazol-7-yl)sulfonyl]urea
CID 179699
1-(4,6-Dimethoxypyrimidin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea
CID 23035912
1-(4,6-Dimethoxypyrimidin-2-yl)-3-[2-(2,2,2-trifluoroethyl)phenyl]sulfonylurea
CID 70509413
N-[4-(4,6-dimethoxypyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143109363
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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea (CID 13138211) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea is CNC(=O)Nc1ccc(C)c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea?
The InChIKey is QSWIAROEPQIDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O6S/c1-9-5-6-10(18-15(23)17-2)7-11(9)29(25,26)22-16(24)21-14-19-12(27-3)8-13(20-14)28-4/h5-8H,1-4H3,(H2,17,18,23)(H2,19,20,21,22,24).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea has a molecular weight of 424.44 g/mol, XLogP of 1.06, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-(methylcarbamoylamino)phenyl]sulfonylurea is sourced from PubChem (CID 13138211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).