1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole

C18H24N8O2S — CID 59718933

IUPAC1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole
SMILESCN(C)S(=O)(=O)NC1CCC(Nc2nccc(-n3nnc4ccccc43)n2)CC1
InChIInChI=1S/C18H24N8O2S/c1-25(2)29(27,28)23-14-9-7-13(8-10-14)20-18-19-12-11-17(21-18)26-16-6-4-3-5-15(16)22-24-26/h3-6,11-14,23H,7-10H2,1-2H3,(H,19,20,21)
InChIKeyVWIDJTODOGUOHO-UHFFFAOYSA-N
MW416.51 g/mol
LogP1.33
Rot. Bonds6

About 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole

1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole (PubChem CID 59718933) has the molecular formula C18H24N8O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole.

Molecular Properties

Compound Name1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole
PubChem CID59718933
Molecular FormulaC18H24N8O2S
Molecular Weight416.51 g/mol
Exact Mass416.17
IUPAC Name1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole
SMILESCN(C)S(=O)(=O)NC1CCC(Nc2nccc(-n3nnc4ccccc43)n2)CC1
InChIInChI=1S/C18H24N8O2S/c1-25(2)29(27,28)23-14-9-7-13(8-10-14)20-18-19-12-11-17(21-18)26-16-6-4-3-5-15(16)22-24-26/h3-6,11-14,23H,7-10H2,1-2H3,(H,19,20,21)
InChIKeyVWIDJTODOGUOHO-UHFFFAOYSA-N
XLogP1.33
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide;methanesulfonic acid
CID 24823664
N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-N-methylmethanesulfonamide
CID 24823662
1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole
CID 59743387
4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-one
CID 59718950
N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-N-(2-hydroxyethyl)methanesulfonamide
CID 59718952
2-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 68925962
4-[[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]methyl]morpholine-3,5-dione
CID 66696890
4-(benzotriazol-1-yl)-N-[4-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine
CID 66696899
(1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 68872202
N-(4-aminocyclohexyl)-2-(methylamino)acetamide;N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-methoxyacetamide;deuterium monohydride;1-(2-methylsulfonylpyrimidin-4-yl)benzotriazole
CID 159438353
4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 59718934
4-(benzotriazol-1-yl)-N-[(1S,2R)-2-(ethylperoxymethyl)cyclohexyl]pyrimidin-2-amine
CID 89276651

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole?
The IUPAC name of 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole (CID 59718933) is 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole.
What is the SMILES notation for 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole?
The canonical SMILES for 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole is CN(C)S(=O)(=O)NC1CCC(Nc2nccc(-n3nnc4ccccc43)n2)CC1.
What is the InChIKey of 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole?
The InChIKey is VWIDJTODOGUOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O2S/c1-25(2)29(27,28)23-14-9-7-13(8-10-14)20-18-19-12-11-17(21-18)26-16-6-4-3-5-15(16)22-24-26/h3-6,11-14,23H,7-10H2,1-2H3,(H,19,20,21).
What are the key properties of 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole?
1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole has a molecular weight of 416.51 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole is sourced from PubChem (CID 59718933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).