N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide

C16H24N6O3S — CID 122356992

IUPACN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1cn(C(C)C)cn1
InChIInChI=1S/C16H24N6O3S/c1-11(2)22-9-14(17-10-22)26(23,24)20-15-12(3)18-16(19-13(15)4)21-5-7-25-8-6-21/h9-11,20H,5-8H2,1-4H3
InChIKeyGEZYBQHGUKMQKW-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.51
Rot. Bonds5

About N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide

N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 122356992) has the molecular formula C16H24N6O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID122356992
Molecular FormulaC16H24N6O3S
Molecular Weight380.47 g/mol
Exact Mass380.16
IUPAC NameN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1cn(C(C)C)cn1
InChIInChI=1S/C16H24N6O3S/c1-11(2)22-9-14(17-10-22)26(23,24)20-15-12(3)18-16(19-13(15)4)21-5-7-25-8-6-21/h9-11,20H,5-8H2,1-4H3
InChIKeyGEZYBQHGUKMQKW-UHFFFAOYSA-N
XLogP1.51
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968636
1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
CID 122300186
1-propan-2-yl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazole-4-sulfonamide
CID 86803082
N-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide
CID 84589423
morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 93069070
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-fluoro-4-methoxybenzenesulfonamide
CID 122356980
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 122357003
2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid
CID 91646205
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1-methylimidazole-4-sulfonamide
CID 122302877
N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 126831250
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-methylbutanamide
CID 71807274
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356729

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide (CID 122356992) is N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide is Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1cn(C(C)C)cn1.
What is the InChIKey of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is GEZYBQHGUKMQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3S/c1-11(2)22-9-14(17-10-22)26(23,24)20-15-12(3)18-16(19-13(15)4)21-5-7-25-8-6-21/h9-11,20H,5-8H2,1-4H3.
What are the key properties of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide?
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 380.47 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 122356992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).