2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide

C14H21N3O6 — CID 58061987

IUPAC2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide
SMILES[2H]C[C@H]1OC[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](OCC(=O)NC)[C@@H]1O
InChIInChI=1S/C14H21N3O6/c1-7-4-17(14(21)16-13(7)20)9-5-22-8(2)11(19)12(9)23-6-10(18)15-3/h4,8-9,11-12,19H,5-6H2,1-3H3,(H,15,18)(H,16,20,21)/t8-,9-,11-,12+/m1/s1/i2D
InChIKeyRNHLWDGFYCJGHP-VNRBZRAHSA-N
MW328.34 g/mol
LogP-1.70
Rot. Bonds5

About 2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide

2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide (PubChem CID 58061987) has the molecular formula C14H21N3O6 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide
PubChem CID58061987
Molecular FormulaC14H21N3O6
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide
SMILES[2H]C[C@H]1OC[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](OCC(=O)NC)[C@@H]1O
InChIInChI=1S/C14H21N3O6/c1-7-4-17(14(21)16-13(7)20)9-5-22-8(2)11(19)12(9)23-6-10(18)15-3/h4,8-9,11-12,19H,5-6H2,1-3H3,(H,15,18)(H,16,20,21)/t8-,9-,11-,12+/m1/s1/i2D
InChIKeyRNHLWDGFYCJGHP-VNRBZRAHSA-N
XLogP-1.70
TPSA122.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide with MolForge

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Related Compounds

[3-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylimino-oxovanadium
CID 59899981
[(1R)-1-[(2S,3R,4R,5R)-3-hydroxy-4-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] benzoate
CID 130346889
[(E)-2-[(2R,3S,5R)-4-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid
CID 167351540
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
1-[(2R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 25134798
1-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 12068040
1-[(2R,4S,5R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14079545
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 6400287
1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
CID 138975124
1-[(2R,3R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 98008852
1-[(2R,3R,4R,5R)-3-[4-(dimethylamino)-2-oxobutoxy]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 91333940
1-[(3R,3aR,5S,6R,6aR)-3,6-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-5-methylpyrimidine-2,4-dione
CID 10869335

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide?
The IUPAC name of 2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide (CID 58061987) is 2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide.
What is the SMILES notation for 2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide?
The canonical SMILES for 2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide is [2H]C[C@H]1OC[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](OCC(=O)NC)[C@@H]1O.
What is the InChIKey of 2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide?
The InChIKey is RNHLWDGFYCJGHP-VNRBZRAHSA-N. The full InChI is InChI=1S/C14H21N3O6/c1-7-4-17(14(21)16-13(7)20)9-5-22-8(2)11(19)12(9)23-6-10(18)15-3/h4,8-9,11-12,19H,5-6H2,1-3H3,(H,15,18)(H,16,20,21)/t8-,9-,11-,12+/m1/s1/i2D.
What are the key properties of 2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide?
2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide has a molecular weight of 328.34 g/mol, XLogP of -1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4S,5R)-2-(deuteriomethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-4-yl]oxy-N-methylacetamide is sourced from PubChem (CID 58061987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).