[(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate

C14H19N3O7 — CID 58508393

IUPAC[(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate
SMILESCNC(=O)c1cn([C@@H]2O[C@H](CO)[C@H](OC(C)=O)C2C)c(=O)[nH]c1=O
InChIInChI=1S/C14H19N3O7/c1-6-10(23-7(2)19)9(5-18)24-13(6)17-4-8(11(20)15-3)12(21)16-14(17)22/h4,6,9-10,13,18H,5H2,1-3H3,(H,15,20)(H,16,21,22)/t6?,9-,10-,13-/m1/s1
InChIKeyMPNCVJIXOVAKAA-SLIMGXIBSA-N
MW341.32 g/mol
LogP-1.65
Rot. Bonds4

About [(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate

[(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate (PubChem CID 58508393) has the molecular formula C14H19N3O7 and a molecular weight of 341.32 g/mol. Its IUPAC name is [(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate
PubChem CID58508393
Molecular FormulaC14H19N3O7
Molecular Weight341.32 g/mol
Exact Mass341.12
IUPAC Name[(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate
SMILESCNC(=O)c1cn([C@@H]2O[C@H](CO)[C@H](OC(C)=O)C2C)c(=O)[nH]c1=O
InChIInChI=1S/C14H19N3O7/c1-6-10(23-7(2)19)9(5-18)24-13(6)17-4-8(11(20)15-3)12(21)16-14(17)22/h4,6,9-10,13,18H,5H2,1-3H3,(H,15,20)(H,16,21,22)/t6?,9-,10-,13-/m1/s1
InChIKeyMPNCVJIXOVAKAA-SLIMGXIBSA-N
XLogP-1.65
TPSA139.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R,4S,5R)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate
CID 118149146
[(2S,5S)-4-bromooxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 57225900
[(2R,5R)-5-[2,4-dioxo-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58508402
ethane;1-[5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 170577941
1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide
CID 174190891
[(2R,3S,4S,5S)-3,4-diacetyloxy-5-(5-bromo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 135391183
[(2R,5R)-3,4-diacetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 70861016
1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 174181889
5-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 67462638
[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] acetate
CID 170319167
[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] acetate
CID 118262374
[(3S,5S,6R)-3,4,5-triacetyloxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl acetate
CID 122597251

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate?
The IUPAC name of [(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate (CID 58508393) is [(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate?
The canonical SMILES for [(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate is CNC(=O)c1cn([C@@H]2O[C@H](CO)[C@H](OC(C)=O)C2C)c(=O)[nH]c1=O.
What is the InChIKey of [(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate?
The InChIKey is MPNCVJIXOVAKAA-SLIMGXIBSA-N. The full InChI is InChI=1S/C14H19N3O7/c1-6-10(23-7(2)19)9(5-18)24-13(6)17-4-8(11(20)15-3)12(21)16-14(17)22/h4,6,9-10,13,18H,5H2,1-3H3,(H,15,20)(H,16,21,22)/t6?,9-,10-,13-/m1/s1.
What are the key properties of [(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate?
[(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate has a molecular weight of 341.32 g/mol, XLogP of -1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-2-(hydroxymethyl)-4-methyl-5-[5-(methylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] acetate is sourced from PubChem (CID 58508393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).