[4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide

C18H28N6O2S — CID 140546353

IUPAC[4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
SMILESCc1nc(-c2ccnc(NC3CCC(CS(N)(=O)=O)CC3)n2)cn1C(C)C
InChIInChI=1S/C18H28N6O2S/c1-12(2)24-10-17(21-13(24)3)16-8-9-20-18(23-16)22-15-6-4-14(5-7-15)11-27(19,25)26/h8-10,12,14-15H,4-7,11H2,1-3H3,(H2,19,25,26)(H,20,22,23)
InChIKeyABQSOHOQCMCSEL-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.49
Rot. Bonds6

About [4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide

[4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide (PubChem CID 140546353) has the molecular formula C18H28N6O2S and a molecular weight of 392.53 g/mol. Its IUPAC name is [4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
PubChem CID140546353
Molecular FormulaC18H28N6O2S
Molecular Weight392.53 g/mol
Exact Mass392.20
IUPAC Name[4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
SMILESCc1nc(-c2ccnc(NC3CCC(CS(N)(=O)=O)CC3)n2)cn1C(C)C
InChIInChI=1S/C18H28N6O2S/c1-12(2)24-10-17(21-13(24)3)16-8-9-20-18(23-16)22-15-6-4-14(5-7-15)11-27(19,25)26/h8-10,12,14-15H,4-7,11H2,1-3H3,(H2,19,25,26)(H,20,22,23)
InChIKeyABQSOHOQCMCSEL-UHFFFAOYSA-N
XLogP2.49
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide?
The IUPAC name of [4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide (CID 140546353) is [4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide.
What is the SMILES notation for [4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide?
The canonical SMILES for [4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide is Cc1nc(-c2ccnc(NC3CCC(CS(N)(=O)=O)CC3)n2)cn1C(C)C.
What is the InChIKey of [4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide?
The InChIKey is ABQSOHOQCMCSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2S/c1-12(2)24-10-17(21-13(24)3)16-8-9-20-18(23-16)22-15-6-4-14(5-7-15)11-27(19,25)26/h8-10,12,14-15H,4-7,11H2,1-3H3,(H2,19,25,26)(H,20,22,23).
What are the key properties of [4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide?
[4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide has a molecular weight of 392.53 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 140546353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).