N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide

C12H17N5O4S — CID 122304210

IUPACN-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cnc(OC)nc2OC)nc1C
InChIInChI=1S/C12H17N5O4S/c1-5-17-7-10(14-8(17)2)22(18,19)16-9-6-13-12(21-4)15-11(9)20-3/h6-7,16H,5H2,1-4H3
InChIKeyLIUVOXXAMHCDEC-UHFFFAOYSA-N
MW327.37 g/mol
LogP0.82
Rot. Bonds6

About N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide

N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 122304210) has the molecular formula C12H17N5O4S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID122304210
Molecular FormulaC12H17N5O4S
Molecular Weight327.37 g/mol
Exact Mass327.10
IUPAC NameN-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cnc(OC)nc2OC)nc1C
InChIInChI=1S/C12H17N5O4S/c1-5-17-7-10(14-8(17)2)22(18,19)16-9-6-13-12(21-4)15-11(9)20-3/h6-7,16H,5H2,1-4H3
InChIKeyLIUVOXXAMHCDEC-UHFFFAOYSA-N
XLogP0.82
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 122304210) is N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cnc(OC)nc2OC)nc1C.
What is the InChIKey of N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is LIUVOXXAMHCDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4S/c1-5-17-7-10(14-8(17)2)22(18,19)16-9-6-13-12(21-4)15-11(9)20-3/h6-7,16H,5H2,1-4H3.
What are the key properties of N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 327.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 122304210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).