1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

C29H27N5O4 — CID 57255631

IUPAC1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2CC(OC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](CN=[N+]=[N-])O2)c(=O)[nH]c1=O
InChIInChI=1S/C29H27N5O4/c1-20-19-34(28(36)32-27(20)35)26-17-24(25(37-26)18-31-33-30)38-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19,24-26H,17-18H2,1H3,(H,32,35,36)/t24?,25-,26-/m1/s1
InChIKeyYAGCAHLXMOVZIE-KPRFIHOGSA-N
MW509.57 g/mol
LogP4.82
Rot. Bonds8

About 1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 57255631) has the molecular formula C29H27N5O4 and a molecular weight of 509.57 g/mol. Its IUPAC name is 1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID57255631
Molecular FormulaC29H27N5O4
Molecular Weight509.57 g/mol
Exact Mass509.21
IUPAC Name1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2CC(OC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](CN=[N+]=[N-])O2)c(=O)[nH]c1=O
InChIInChI=1S/C29H27N5O4/c1-20-19-34(28(36)32-27(20)35)26-17-24(25(37-26)18-31-33-30)38-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19,24-26H,17-18H2,1H3,(H,32,35,36)/t24?,25-,26-/m1/s1
InChIKeyYAGCAHLXMOVZIE-KPRFIHOGSA-N
XLogP4.82
TPSA122.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.57
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,4S,5S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 50989243
1-[(2R,4S,5R)-4-(azidomethoxy)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71733665
1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11556527
[(2R,3S,5R)-2-(azidomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] (2-chlorophenyl) phosphate
CID 135021225
1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(difluorophosphoryloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10031919
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
[(2S,3S,5R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylsulfanylmethyl-hydroxy-oxophosphanium
CID 132562377
2-[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl]oxyisoindole-1,3-dione
CID 68836402
trimethyl-[2-[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl]oxyethyl]azanium iodide
CID 10009915
[(2S,3S,5R)-2-(azidomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methylphosphonic acid
CID 101145429
1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphinoselenoyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10866145

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 57255631) is 1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2CC(OC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](CN=[N+]=[N-])O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is YAGCAHLXMOVZIE-KPRFIHOGSA-N. The full InChI is InChI=1S/C29H27N5O4/c1-20-19-34(28(36)32-27(20)35)26-17-24(25(37-26)18-31-33-30)38-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19,24-26H,17-18H2,1H3,(H,32,35,36)/t24?,25-,26-/m1/s1.
What are the key properties of 1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 509.57 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-5-(azidomethyl)-4-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 57255631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).