4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine

C23H24N2O4S — CID 135072241

IUPAC4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine
SMILESCOc1ccnc(OC[C@H]2O[C@@H](Sc3ccccc3)C[C@H]2OCc2ccccc2)n1
InChIInChI=1S/C23H24N2O4S/c1-26-21-12-13-24-23(25-21)28-16-20-19(27-15-17-8-4-2-5-9-17)14-22(29-20)30-18-10-6-3-7-11-18/h2-13,19-20,22H,14-16H2,1H3/t19-,20-,22+/m1/s1
InChIKeyGNDGTGUCZYMRFD-SJBKTWHCSA-N
MW424.52 g/mol
LogP4.36
Rot. Bonds9

About 4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine

4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine (PubChem CID 135072241) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine
PubChem CID135072241
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine
SMILESCOc1ccnc(OC[C@H]2O[C@@H](Sc3ccccc3)C[C@H]2OCc2ccccc2)n1
InChIInChI=1S/C23H24N2O4S/c1-26-21-12-13-24-23(25-21)28-16-20-19(27-15-17-8-4-2-5-9-17)14-22(29-20)30-18-10-6-3-7-11-18/h2-13,19-20,22H,14-16H2,1H3/t19-,20-,22+/m1/s1
InChIKeyGNDGTGUCZYMRFD-SJBKTWHCSA-N
XLogP4.36
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine with MolForge

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Related Compounds

(4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
CID 126612117
[(2R,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-6-phenylsulfanyloxan-2-yl]methanol
CID 25137433
tert-butyl-dimethyl-[(2R,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxysilane
CID 73292656
(2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 15059956
(2R,3R,4S,5R)-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
CID 102575527
(2S,3R,4S,5R,6R)-2-(4-methoxyphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101216183
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135
2-methylsulfonyl-4-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine
CID 122377654
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-phenylsulfanyloxolane
CID 10994846
3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-phenylsulfanyloxolane
CID 73113637
(2S,3S,4R,5S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-phenylsulfanyloxolane
CID 101410206
(2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane
CID 11771197

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine?
The IUPAC name of 4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine (CID 135072241) is 4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine?
The canonical SMILES for 4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine is COc1ccnc(OC[C@H]2O[C@@H](Sc3ccccc3)C[C@H]2OCc2ccccc2)n1.
What is the InChIKey of 4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine?
The InChIKey is GNDGTGUCZYMRFD-SJBKTWHCSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-26-21-12-13-24-23(25-21)28-16-20-19(27-15-17-8-4-2-5-9-17)14-22(29-20)30-18-10-6-3-7-11-18/h2-13,19-20,22H,14-16H2,1H3/t19-,20-,22+/m1/s1.
What are the key properties of 4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine?
4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine has a molecular weight of 424.52 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(2R,3R,5S)-3-phenylmethoxy-5-phenylsulfanyloxolan-2-yl]methoxy]pyrimidine is sourced from PubChem (CID 135072241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).