5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione

C17H27N3O6 — CID 176641455

IUPAC5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione
SMILESCOC1[C@H](OC)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@]12CN(C)CC[C@H]2OC
InChIInChI=1S/C17H27N3O6/c1-10-8-20(16(22)18-14(10)21)15-12(24-4)13(25-5)17(26-15)9-19(2)7-6-11(17)23-3/h8,11-13,15H,6-7,9H2,1-5H3,(H,18,21,22)/t11-,12+,13?,15-,17-/m1/s1
InChIKeyHZGAYKWSVQXSQY-OUEQPODYSA-N
MW369.42 g/mol
LogP-0.51
Rot. Bonds4

About 5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione

5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione (PubChem CID 176641455) has the molecular formula C17H27N3O6 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione
PubChem CID176641455
Molecular FormulaC17H27N3O6
Molecular Weight369.42 g/mol
Exact Mass369.19
IUPAC Name5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione
SMILESCOC1[C@H](OC)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@]12CN(C)CC[C@H]2OC
InChIInChI=1S/C17H27N3O6/c1-10-8-20(16(22)18-14(10)21)15-12(24-4)13(25-5)17(26-15)9-19(2)7-6-11(17)23-3/h8,11-13,15H,6-7,9H2,1-5H3,(H,18,21,22)/t11-,12+,13?,15-,17-/m1/s1
InChIKeyHZGAYKWSVQXSQY-OUEQPODYSA-N
XLogP-0.51
TPSA95.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,3S,5S,6R)-4-hydroxy-3-methoxy-9-methyl-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-2-yl]-5-methylpyrimidine-2,4-dione
CID 176641448
[(2R,3S,5R)-2-(2-aminoethyl)-2-(hydroxymethyl)-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate
CID 132572560
1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione
CID 174001291
1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71028658
1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59957186
5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 102041523
[(1R,3R)-1-ethyl-5-methyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-7-yl] hypoiodite
CID 174007230
1-[5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 155887099
1-[(2R,5S)-4,5-bis(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 163539028
2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide
CID 167509202
1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11383109
[(2R,3S,5R,6R)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4,6-bis(phenylmethoxy)-1,9-dioxaspiro[4.5]decan-3-yl] acetate
CID 176641454

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione (CID 176641455) is 5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione is COC1[C@H](OC)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@]12CN(C)CC[C@H]2OC.
What is the InChIKey of 5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione?
The InChIKey is HZGAYKWSVQXSQY-OUEQPODYSA-N. The full InChI is InChI=1S/C17H27N3O6/c1-10-8-20(16(22)18-14(10)21)15-12(24-4)13(25-5)17(26-15)9-19(2)7-6-11(17)23-3/h8,11-13,15H,6-7,9H2,1-5H3,(H,18,21,22)/t11-,12+,13?,15-,17-/m1/s1.
What are the key properties of 5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione?
5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione has a molecular weight of 369.42 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2R,3S,5R,6R)-3,4,6-trimethoxy-9-methyl-1-oxa-9-azaspiro[4.5]decan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 176641455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).