1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C24H26N2O5 — CID 11037272

IUPAC1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILES[2H][C@]1(OCc2ccccc2)C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C24H26N2O5/c1-17-13-26(24(28)25-23(17)27)22-12-20(30-15-19-10-6-3-7-11-19)21(31-22)16-29-14-18-8-4-2-5-9-18/h2-11,13,20-22H,12,14-16H2,1H3,(H,25,27,28)/t20-,21+,22+/m0/s1/i20D
InChIKeyFLJRCPRZKNSMKG-GGLPYDKQSA-N
MW423.49 g/mol
LogP2.93
Rot. Bonds8

About 1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 11037272) has the molecular formula C24H26N2O5 and a molecular weight of 423.49 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID11037272
Molecular FormulaC24H26N2O5
Molecular Weight423.49 g/mol
Exact Mass423.19
IUPAC Name1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILES[2H][C@]1(OCc2ccccc2)C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C24H26N2O5/c1-17-13-26(24(28)25-23(17)27)22-12-20(30-15-19-10-6-3-7-11-19)21(31-22)16-29-14-18-8-4-2-5-9-18/h2-11,13,20-22H,12,14-16H2,1H3,(H,25,27,28)/t20-,21+,22+/m0/s1/i20D
InChIKeyFLJRCPRZKNSMKG-GGLPYDKQSA-N
XLogP2.93
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,5R)-5-[[3,4-bis(phenylmethoxy)phenyl]methoxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67653775
5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 54768279
1-[(2R,5R)-5-[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67654342
5-methyl-1-[(5S)-5-(phenylmethoxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 139721718
1-[(2R,3aR,6R,6aR)-3a,6-bis(phenylmethoxy)-2,3,6,6a-tetrahydrocyclopenta[b]furan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10837093
1-[(2R,5R)-4-[(4-aminophenyl)methoxymethoxy]-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 174061645
[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]oxolan-3-yl] acetate
CID 11204782
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxo-phenylmethoxyphosphanium
CID 11742911
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(phenylmethoxyamino)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15476584
1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 514178
1-[(2R,4R,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11755083
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 59189483

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 11037272) is 1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is [2H][C@]1(OCc2ccccc2)C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COCc1ccccc1.
What is the InChIKey of 1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is FLJRCPRZKNSMKG-GGLPYDKQSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-17-13-26(24(28)25-23(17)27)22-12-20(30-15-19-10-6-3-7-11-19)21(31-22)16-29-14-18-8-4-2-5-9-18/h2-11,13,20-22H,12,14-16H2,1H3,(H,25,27,28)/t20-,21+,22+/m0/s1/i20D.
What are the key properties of 1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 423.49 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11037272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).