N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide

C16H26N4O4S — CID 91626470

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)CN(C)S(C)(=O)=O)CC2)n1
InChIInChI=1S/C16H26N4O4S/c1-11-9-12(2)18-16(17-11)24-14-7-5-13(6-8-14)19-15(21)10-20(3)25(4,22)23/h9,13-14H,5-8,10H2,1-4H3,(H,19,21)
InChIKeyKPJNDVPLZZIXPF-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.79
Rot. Bonds6

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 91626470) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID91626470
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)CN(C)S(C)(=O)=O)CC2)n1
InChIInChI=1S/C16H26N4O4S/c1-11-9-12(2)18-16(17-11)24-14-7-5-13(6-8-14)19-15(21)10-20(3)25(4,22)23/h9,13-14H,5-8,10H2,1-4H3,(H,19,21)
InChIKeyKPJNDVPLZZIXPF-UHFFFAOYSA-N
XLogP0.79
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-((6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)methyl)-2-(N-methylbutylsulfonamido)acetamide
CID 76147984
5-oxo-N-[(1r,4r)-4-[(4,6-dimethylpyrimidin-2-yl)oxy]cyclohexyl]pyrrolidine-2-carboxamide
CID 91626451
N-((1r,4r)-4-((4,6-dimethylpyrimidin-2-yl)oxy)cyclohexyl)-3,3,3-trifluoropropanamide
CID 90634878
N-((6-methyl-2-morpholinopyrimidin-4-yl)methyl)-2-(N-methylbutylsulfonamido)acetamide
CID 76147995
2-(cyclopentylthio)-N-((1r,4r)-4-((4,6-dimethylpyrimidin-2-yl)oxy)cyclohexyl)acetamide
CID 90634593
N-((1r,4r)-4-((4,6-dimethylpyrimidin-2-yl)oxy)cyclohexyl)pent-4-enamide
CID 90634629
N-((1r,4r)-4-((4,6-dimethylpyrimidin-2-yl)oxy)cyclohexyl)acetamide
CID 90634640
N-((1r,4r)-4-((4,6-dimethylpyrimidin-2-yl)oxy)cyclohexyl)butyramide
CID 90634641
N-((1r,4r)-4-((4,6-dimethylpyrimidin-2-yl)oxy)cyclohexyl)propionamide
CID 90634642
N-((1r,4r)-4-((4,6-dimethylpyrimidin-2-yl)oxy)cyclohexyl)isobutyramide
CID 90634643
N-((1r,4r)-4-((4,6-dimethylpyrimidin-2-yl)oxy)cyclohexyl)pentanamide
CID 90634644
N-((1r,4r)-4-((4,6-dimethylpyrimidin-2-yl)oxy)cyclohexyl)pivalamide
CID 90634645

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 91626470) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide is Cc1cc(C)nc(OC2CCC(NC(=O)CN(C)S(C)(=O)=O)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is KPJNDVPLZZIXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-11-9-12(2)18-16(17-11)24-14-7-5-13(6-8-14)19-15(21)10-20(3)25(4,22)23/h9,13-14H,5-8,10H2,1-4H3,(H,19,21).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 370.48 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 91626470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).