4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one

C29H28IN3O3 — CID 10841185

IUPAC4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCc1cn([C@H]2C[C@H](I)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)nc1N
InChIInChI=1S/C29H28IN3O3/c1-20-18-33(28(34)32-27(20)31)26-17-24(30)25(36-26)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-26H,17,19H2,1H3,(H2,31,32,34)/t24-,25+,26+/m0/s1
InChIKeyXDHQEXZQXYEATR-JIMJEQGWSA-N
MW593.47 g/mol
LogP5.23
Rot. Bonds7

About 4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one

4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one (PubChem CID 10841185) has the molecular formula C29H28IN3O3 and a molecular weight of 593.47 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
PubChem CID10841185
Molecular FormulaC29H28IN3O3
Molecular Weight593.47 g/mol
Exact Mass593.12
IUPAC Name4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCc1cn([C@H]2C[C@H](I)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)nc1N
InChIInChI=1S/C29H28IN3O3/c1-20-18-33(28(34)32-27(20)31)26-17-24(30)25(36-26)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-26H,17,19H2,1H3,(H2,31,32,34)/t24-,25+,26+/m0/s1
InChIKeyXDHQEXZQXYEATR-JIMJEQGWSA-N
XLogP5.23
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one
CID 90975307
4-amino-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-ethynylpyrimidin-2-one
CID 72736820
5-fluoro-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 46236787
4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 51471204
3-[[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 165366902
2-methoxy-5-methyl-1-[(2R,4S,5S)-4-nitro-5-(trityloxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 10436927
N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 11331209
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
(1R,10R)-10-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-methyl-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one
CID 169436556
[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2-oxo-4-phenoxypyrimidin-1-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium
CID 12071204
[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[5-methyl-4-[(N'-methylcarbamimidoyl)amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-hydroxy-oxophosphanium
CID 102587716

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one (CID 10841185) is 4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one is Cc1cn([C@H]2C[C@H](I)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)nc1N.
What is the InChIKey of 4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
The InChIKey is XDHQEXZQXYEATR-JIMJEQGWSA-N. The full InChI is InChI=1S/C29H28IN3O3/c1-20-18-33(28(34)32-27(20)31)26-17-24(30)25(36-26)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-26H,17,19H2,1H3,(H2,31,32,34)/t24-,25+,26+/m0/s1.
What are the key properties of 4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one has a molecular weight of 593.47 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 10841185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).