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

C14H18N6O5S — CID 141017189

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea
SMILESCOc1cc(OC)nc(N(C(N)=O)S(=O)(=O)c2ncccc2N(C)C)n1
InChIInChI=1S/C14H18N6O5S/c1-19(2)9-6-5-7-16-12(9)26(22,23)20(13(15)21)14-17-10(24-3)8-11(18-14)25-4/h5-8H,1-4H3,(H2,15,21)
InChIKeyRJUCLLHBCATMII-UHFFFAOYSA-N
MW382.40 g/mol
LogP0.23
Rot. Bonds6

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

1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea (PubChem CID 141017189) has the molecular formula C14H18N6O5S and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea
PubChem CID141017189
Molecular FormulaC14H18N6O5S
Molecular Weight382.40 g/mol
Exact Mass382.11
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea
SMILESCOc1cc(OC)nc(N(C(N)=O)S(=O)(=O)c2ncccc2N(C)C)n1
InChIInChI=1S/C14H18N6O5S/c1-19(2)9-6-5-7-16-12(9)26(22,23)20(13(15)21)14-17-10(24-3)8-11(18-14)25-4/h5-8H,1-4H3,(H2,15,21)
InChIKeyRJUCLLHBCATMII-UHFFFAOYSA-N
XLogP0.23
TPSA140.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 23109792
1-(4,6-dimethylpyrimidin-2-yl)-1-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea
CID 70098046
methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate
CID 151729187
methyl 3-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-5-chloro-2-methyl-1H-pyrazole-5-carboxylate
CID 67417073
2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide
CID 70195005
1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea
CID 70364592
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)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 67617129
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid
CID 19390517
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-[ethyl(methylsulfonyl)amino]-2-pyridinyl]sulfonyl]urea
CID 19977699
2-[[2-(4-methoxyphenyl)sulfonyl-3-pyridinyl]-methylamino]benzoic acid
CID 174417729
1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea
CID 142648741

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea (CID 141017189) is 1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea is COc1cc(OC)nc(N(C(N)=O)S(=O)(=O)c2ncccc2N(C)C)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea?
The InChIKey is RJUCLLHBCATMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O5S/c1-19(2)9-6-5-7-16-12(9)26(22,23)20(13(15)21)14-17-10(24-3)8-11(18-14)25-4/h5-8H,1-4H3,(H2,15,21).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea?
1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea has a molecular weight of 382.40 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea is sourced from PubChem (CID 141017189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).