1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea

C9H15N5O5S — CID 142648741

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea
SMILESCNC(=O)N(c1nc(OC)cc(OC)n1)S(=O)(=O)NC
InChIInChI=1S/C9H15N5O5S/c1-10-9(15)14(20(16,17)11-2)8-12-6(18-3)5-7(13-8)19-4/h5,11H,1-4H3,(H,10,15)
InChIKeyGZABNGQHSITADJ-UHFFFAOYSA-N
MW305.32 g/mol
LogP-0.90
Rot. Bonds5

About 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea

1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea (PubChem CID 142648741) has the molecular formula C9H15N5O5S and a molecular weight of 305.32 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea
PubChem CID142648741
Molecular FormulaC9H15N5O5S
Molecular Weight305.32 g/mol
Exact Mass305.08
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea
SMILESCNC(=O)N(c1nc(OC)cc(OC)n1)S(=O)(=O)NC
InChIInChI=1S/C9H15N5O5S/c1-10-9(15)14(20(16,17)11-2)8-12-6(18-3)5-7(13-8)19-4/h5,11H,1-4H3,(H,10,15)
InChIKeyGZABNGQHSITADJ-UHFFFAOYSA-N
XLogP-0.90
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea
CID 142669824
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
CID 115355509
1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea
CID 13093971
N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 22648732
2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetic acid
CID 115354683
1-(4,6-dimethoxypyrimidin-2-yl)-1-[[2-(2,2,2-trifluoroacetyl)pyrrol-1-yl]sulfamoyl]urea
CID 67618462
2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid
CID 115354708
4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane
CID 159487000
methyl 3-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-5-chloro-2-methyl-1H-pyrazole-5-carboxylate
CID 67417073
methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 23109792
1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
CID 19607508
3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid
CID 107624901

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea (CID 142648741) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea is CNC(=O)N(c1nc(OC)cc(OC)n1)S(=O)(=O)NC.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea?
The InChIKey is GZABNGQHSITADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O5S/c1-10-9(15)14(20(16,17)11-2)8-12-6(18-3)5-7(13-8)19-4/h5,11H,1-4H3,(H,10,15).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea has a molecular weight of 305.32 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea is sourced from PubChem (CID 142648741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).