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

C22H29N3O6 — CID 176641448

IUPAC1-[(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
SMILESCO[C@H]1C(O)[C@]2(CN(C)CC[C@H]2OCc2ccccc2)O[C@H]1n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C22H29N3O6/c1-14-11-25(21(28)23-19(14)27)20-17(29-3)18(26)22(31-20)13-24(2)10-9-16(22)30-12-15-7-5-4-6-8-15/h4-8,11,16-18,20,26H,9-10,12-13H2,1-3H3,(H,23,27,28)/t16-,17+,18?,20-,22-/m1/s1
InChIKeyALMNFVTUUKMTDT-TZAPSERFSA-N
MW431.49 g/mol
LogP0.41
Rot. Bonds5

About 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

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 (PubChem CID 176641448) has the molecular formula C22H29N3O6 and a molecular weight of 431.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID176641448
Molecular FormulaC22H29N3O6
Molecular Weight431.49 g/mol
Exact Mass431.21
IUPAC Name1-[(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
SMILESCO[C@H]1C(O)[C@]2(CN(C)CC[C@H]2OCc2ccccc2)O[C@H]1n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C22H29N3O6/c1-14-11-25(21(28)23-19(14)27)20-17(29-3)18(26)22(31-20)13-24(2)10-9-16(22)30-12-15-7-5-4-6-8-15/h4-8,11,16-18,20,26H,9-10,12-13H2,1-3H3,(H,23,27,28)/t16-,17+,18?,20-,22-/m1/s1
InChIKeyALMNFVTUUKMTDT-TZAPSERFSA-N
XLogP0.41
TPSA106.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
[(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
1-[(2R,3R,3aS,6R,6aR)-3-hydroxy-3a,6-bis(phenylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139092300
5-methyl-1-[(1S,3S,4R,7S)-7-phenylmethoxy-1-(phenylmethoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
CID 15374268
(2R,3S,4R,5R)-4-aminooxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane-2-carboxylic acid
CID 56930953
[(2S,3R,4S)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-5,5-bis(methylsulfonyloxymethyl)-4-phenylmethoxyoxolan-3-yl] acetate
CID 175155742
[(2R,3S,4S)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-5,5-bis(methylsulfonyloxymethyl)-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate
CID 10974383
1-[(5R)-3-amino-5-(hydroxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 129256635
1-[(2R,3aR,4R,5S,6R,6aR)-4,5-dihydroxy-3a,6-bis(phenylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10896129
5-methyl-1-[(1R,3R,4R,7S)-7-phenylmethoxy-1-(phenylmethoxymethyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
CID 135235523
2-[(2R,3R,4S,5R)-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl]oxyisoindole-1,3-dione
CID 56930951
benzyl (1S,3R,4R,5S)-4-hydroxy-1-(hydroxymethyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxa-6-azabicyclo[3.2.0]heptane-6-carboxylate
CID 101015127

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CO[C@H]1C(O)[C@]2(CN(C)CC[C@H]2OCc2ccccc2)O[C@H]1n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 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?
The InChIKey is ALMNFVTUUKMTDT-TZAPSERFSA-N. The full InChI is InChI=1S/C22H29N3O6/c1-14-11-25(21(28)23-19(14)27)20-17(29-3)18(26)22(31-20)13-24(2)10-9-16(22)30-12-15-7-5-4-6-8-15/h4-8,11,16-18,20,26H,9-10,12-13H2,1-3H3,(H,23,27,28)/t16-,17+,18?,20-,22-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 431.49 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176641448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).