5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide

C10H14N6O4S — CID 107624736

IUPAC5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide
SMILESCOc1cc(OC)nc(NS(=O)(=O)c2c(N)ncn2C)n1
InChIInChI=1S/C10H14N6O4S/c1-16-5-12-8(11)9(16)21(17,18)15-10-13-6(19-2)4-7(14-10)20-3/h4-5H,11H2,1-3H3,(H,13,14,15)
InChIKeyINFGILRLXWECTQ-UHFFFAOYSA-N
MW314.33 g/mol
LogP-0.39
Rot. Bonds5

About 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide

5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide (PubChem CID 107624736) has the molecular formula C10H14N6O4S and a molecular weight of 314.33 g/mol. Its IUPAC name is 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide
PubChem CID107624736
Molecular FormulaC10H14N6O4S
Molecular Weight314.33 g/mol
Exact Mass314.08
IUPAC Name5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide
SMILESCOc1cc(OC)nc(NS(=O)(=O)c2c(N)ncn2C)n1
InChIInChI=1S/C10H14N6O4S/c1-16-5-12-8(11)9(16)21(17,18)15-10-13-6(19-2)4-7(14-10)20-3/h4-5H,11H2,1-3H3,(H,13,14,15)
InChIKeyINFGILRLXWECTQ-UHFFFAOYSA-N
XLogP-0.39
TPSA134.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide
CID 82857389
5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride
CID 54601102
5-amino-3-methyl-N-pentan-3-ylimidazole-4-sulfonamide
CID 63977514
5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide
CID 107608901
5-amino-N-(5-chloro-2-fluorophenyl)-3-methylimidazole-4-sulfonamide
CID 63979821
2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetamide
CID 63977708
5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide
CID 63978492
3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide
CID 63980035
5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide
CID 107605475
5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide
CID 107212641
5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide
CID 114615039
2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate
CID 83202968

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide (CID 107624736) is 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide is COc1cc(OC)nc(NS(=O)(=O)c2c(N)ncn2C)n1.
What is the InChIKey of 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide?
The InChIKey is INFGILRLXWECTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O4S/c1-16-5-12-8(11)9(16)21(17,18)15-10-13-6(19-2)4-7(14-10)20-3/h4-5H,11H2,1-3H3,(H,13,14,15).
What are the key properties of 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide?
5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide has a molecular weight of 314.33 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 107624736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).