2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine

C24H26N2O5S — CID 122377654

IUPAC2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine
SMILESCS(=O)(=O)c1nccc([C@H]2C[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O2)n1
InChIInChI=1S/C24H26N2O5S/c1-32(27,28)24-25-13-12-20(26-24)21-14-22(30-16-19-10-6-3-7-11-19)23(31-21)17-29-15-18-8-4-2-5-9-18/h2-13,21-23H,14-17H2,1H3/t21-,22+,23-/m1/s1
InChIKeyASUJYZHRYSMTER-XPWALMASSA-N
MW454.55 g/mol
LogP3.51
Rot. Bonds9

About 2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine

2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine (PubChem CID 122377654) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine.

Molecular Properties

Compound Name2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine
PubChem CID122377654
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine
SMILESCS(=O)(=O)c1nccc([C@H]2C[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O2)n1
InChIInChI=1S/C24H26N2O5S/c1-32(27,28)24-25-13-12-20(26-24)21-14-22(30-16-19-10-6-3-7-11-19)23(31-21)17-29-15-18-8-4-2-5-9-18/h2-13,21-23H,14-17H2,1H3/t21-,22+,23-/m1/s1
InChIKeyASUJYZHRYSMTER-XPWALMASSA-N
XLogP3.51
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 134841401
(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carboxylic acid
CID 11382284
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3S,5R)-5-ethynyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11484097
(2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 15059956
(2R,3S,5R)-5-ethenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11771686
(2R,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde
CID 53483097
triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium
CID 11828410
(2R,3R,4S,5R,6R)-2-ethylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101169404
tert-butyl-diphenyl-[[(2R,3S,5R)-5-phenyl-3-phenylmethoxyoxolan-2-yl]methoxy]silane
CID 102482306
2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine
CID 72749768
(4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10686548

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine?
The IUPAC name of 2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine (CID 122377654) is 2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine.
What is the SMILES notation for 2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine?
The canonical SMILES for 2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine is CS(=O)(=O)c1nccc([C@H]2C[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O2)n1.
What is the InChIKey of 2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine?
The InChIKey is ASUJYZHRYSMTER-XPWALMASSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-32(27,28)24-25-13-12-20(26-24)21-14-22(30-16-19-10-6-3-7-11-19)23(31-21)17-29-15-18-8-4-2-5-9-18/h2-13,21-23H,14-17H2,1H3/t21-,22+,23-/m1/s1.
What are the key properties of 2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine?
2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine has a molecular weight of 454.55 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine is sourced from PubChem (CID 122377654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).