N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

C15H24N6O2S — CID 122356419

IUPACN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1cn(C)c(C(C)C)n1
InChIInChI=1S/C15H24N6O2S/c1-9(2)14-18-12(8-21(14)7)24(22,23)19-13-10(3)16-15(20(5)6)17-11(13)4/h8-9,19H,1-7H3
InChIKeyOETFKXXJJIYSNZ-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.82
Rot. Bonds5

About N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 122356419) has the molecular formula C15H24N6O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID122356419
Molecular FormulaC15H24N6O2S
Molecular Weight352.46 g/mol
Exact Mass352.17
IUPAC NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1cn(C)c(C(C)C)n1
InChIInChI=1S/C15H24N6O2S/c1-9(2)14-18-12(8-21(14)7)24(22,23)19-13-10(3)16-15(20(5)6)17-11(13)4/h8-9,19H,1-7H3
InChIKeyOETFKXXJJIYSNZ-UHFFFAOYSA-N
XLogP1.82
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 122254411
1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122309537
1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide
CID 122302549
1-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122296255
1-methyl-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122286920
4-methyl-4-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]pentanoic acid
CID 122068700
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 122252856
(2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid
CID 122069499
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 166351100
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122356401
1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122319238
1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122355254

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (CID 122356419) is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1cn(C)c(C(C)C)n1.
What is the InChIKey of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is OETFKXXJJIYSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2S/c1-9(2)14-18-12(8-21(14)7)24(22,23)19-13-10(3)16-15(20(5)6)17-11(13)4/h8-9,19H,1-7H3.
What are the key properties of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 352.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 122356419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).