N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide

C18H28N6O2S — CID 24866855

IUPACN-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
SMILESCc1ncc(-c2ccnc(NC3CCC(NS(C)(=O)=O)CC3)n2)n1C(C)C
InChIInChI=1S/C18H28N6O2S/c1-12(2)24-13(3)20-11-17(24)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)23-27(4,25)26/h9-12,14-15,23H,5-8H2,1-4H3,(H,19,21,22)
InChIKeyARGVIXVXRSEPGL-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.50
Rot. Bonds6

About N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide

N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide (PubChem CID 24866855) has the molecular formula C18H28N6O2S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
PubChem CID24866855
Molecular FormulaC18H28N6O2S
Molecular Weight392.53 g/mol
Exact Mass392.20
IUPAC NameN-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
SMILESCc1ncc(-c2ccnc(NC3CCC(NS(C)(=O)=O)CC3)n2)n1C(C)C
InChIInChI=1S/C18H28N6O2S/c1-12(2)24-13(3)20-11-17(24)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)23-27(4,25)26/h9-12,14-15,23H,5-8H2,1-4H3,(H,19,21,22)
InChIKeyARGVIXVXRSEPGL-UHFFFAOYSA-N
XLogP2.50
TPSA101.80 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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide (CID 24866855) is N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide is Cc1ncc(-c2ccnc(NC3CCC(NS(C)(=O)=O)CC3)n2)n1C(C)C.
What is the InChIKey of N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide?
The InChIKey is ARGVIXVXRSEPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2S/c1-12(2)24-13(3)20-11-17(24)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)23-27(4,25)26/h9-12,14-15,23H,5-8H2,1-4H3,(H,19,21,22).
What are the key properties of N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide?
N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide has a molecular weight of 392.53 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 24866855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).