N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide

C11H16N6O3S — CID 122319559

IUPACN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2cn(C)cn2)c(N(C)C)n1
InChIInChI=1S/C11H16N6O3S/c1-16(2)10-8(5-12-11(14-10)20-4)15-21(18,19)9-6-17(3)7-13-9/h5-7,15H,1-4H3
InChIKeyMJJVEOFNMRCURK-UHFFFAOYSA-N
MW312.36 g/mol
LogP0.09
Rot. Bonds5

About N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 122319559) has the molecular formula C11H16N6O3S and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide
PubChem CID122319559
Molecular FormulaC11H16N6O3S
Molecular Weight312.36 g/mol
Exact Mass312.10
IUPAC NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2cn(C)cn2)c(N(C)C)n1
InChIInChI=1S/C11H16N6O3S/c1-16(2)10-8(5-12-11(14-10)20-4)15-21(18,19)9-6-17(3)7-13-9/h5-7,15H,1-4H3
InChIKeyMJJVEOFNMRCURK-UHFFFAOYSA-N
XLogP0.09
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide
CID 122319347
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide
CID 122302877
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide
CID 122319346
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122319541
1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
CID 62373633
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122319426
N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide
CID 71917183
N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide
CID 103775515
1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide
CID 146090333
N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 122304210
2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814330
N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
CID 106831921

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide (CID 122319559) is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide is COc1ncc(NS(=O)(=O)c2cn(C)cn2)c(N(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide?
The InChIKey is MJJVEOFNMRCURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3S/c1-16(2)10-8(5-12-11(14-10)20-4)15-21(18,19)9-6-17(3)7-13-9/h5-7,15H,1-4H3.
What are the key properties of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide?
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 312.36 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 122319559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).