1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione

C30H28N2O3 — CID 10528117

IUPAC1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2CC=C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CC2)c(=O)[nH]1
InChIInChI=1S/C30H28N2O3/c33-28-20-21-32(29(34)31-28)27-18-16-23(17-19-27)22-35-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-16,20-21,27H,17-19,22H2,(H,31,33,34)
InChIKeyYSYFPIKEVWIVGQ-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.20
Rot. Bonds7

About 1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione

1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione (PubChem CID 10528117) has the molecular formula C30H28N2O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione
PubChem CID10528117
Molecular FormulaC30H28N2O3
Molecular Weight464.57 g/mol
Exact Mass464.21
IUPAC Name1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2CC=C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CC2)c(=O)[nH]1
InChIInChI=1S/C30H28N2O3/c33-28-20-21-32(29(34)31-28)27-18-16-23(17-19-27)22-35-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-16,20-21,27H,17-19,22H2,(H,31,33,34)
InChIKeyYSYFPIKEVWIVGQ-UHFFFAOYSA-N
XLogP5.20
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 11091653
ethyl (4S)-4-(2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate
CID 40596145
1-[(2S,5S)-4-fluoro-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 21157548
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163284979
1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 12718291
1-[4-(trityloxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione
CID 14161815
1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 124581828
[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-yl] methanesulfonate
CID 99653129
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-trityloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 73350616
1-[(2R,6R)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)-1,4-dioxan-2-yl]pyrimidine-2,4-dione
CID 155680968
1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 124898084
1-[(2R,3S,4R,5S)-3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 51689230

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione (CID 10528117) is 1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione is O=c1ccn(C2CC=C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CC2)c(=O)[nH]1.
What is the InChIKey of 1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione?
The InChIKey is YSYFPIKEVWIVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O3/c33-28-20-21-32(29(34)31-28)27-18-16-23(17-19-27)22-35-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-16,20-21,27H,17-19,22H2,(H,31,33,34).
What are the key properties of 1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione?
1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione has a molecular weight of 464.57 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trityloxymethyl)cyclohex-3-en-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 10528117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).