propan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C20H32N4O4 — CID 58484477

IUPACpropan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCC(N)CC2)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C20H32N4O4/c1-13(2)26-20(25)24-10-8-17(9-11-24)28-19-14(3)18(22-12-23-19)27-16-6-4-15(21)5-7-16/h12-13,15-17H,4-11,21H2,1-3H3
InChIKeyITHDEBGFUGLMBF-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.82
Rot. Bonds5

About propan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 58484477) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is propan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID58484477
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Namepropan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCC(N)CC2)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C20H32N4O4/c1-13(2)26-20(25)24-10-8-17(9-11-24)28-19-14(3)18(22-12-23-19)27-16-6-4-15(21)5-7-16/h12-13,15-17H,4-11,21H2,1-3H3
InChIKeyITHDEBGFUGLMBF-UHFFFAOYSA-N
XLogP2.82
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Propan-2-yl 4-[5-methyl-6-[1-(2,2,2-trifluoroethylsulfanyl)piperidin-1-ium-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 162570213
Propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46701216
Propan-2-yl 4-[5-methyl-6-(1-methylsulfonylazepan-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46701284
Propan-2-yl 4-[6-[4-(methanesulfonamido)cyclohexyl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46701285
Propan-2-yl 4-[5-methyl-6-[4-[methyl(methylsulfonyl)amino]cyclohexyl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46701286
Propan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58484432
Propan-2-yl 4-[6-(1-but-3-enylpiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58484437
Propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58484438
Tert-butyl 7-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 58484439
Propan-2-yl 4-[5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58484440
tert-butyl (1R,5S)-3-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58484441
Propan-2-yl 4-[5-methyl-6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58484442

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 58484477) is propan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1c(OC2CCC(N)CC2)ncnc1OC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is ITHDEBGFUGLMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-13(2)26-20(25)24-10-8-17(9-11-24)28-19-14(3)18(22-12-23-19)27-16-6-4-15(21)5-7-16/h12-13,15-17H,4-11,21H2,1-3H3.
What are the key properties of propan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 392.50 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[6-(4-aminocyclohexyl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 58484477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).