(2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol

C19H21N3O5 — CID 142808569

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol
SMILESCOc1ccc(-c2ncnc3c2N=C[C@@H](C2O[C@H](CO)[C@@H](O)[C@H]2O)C3)cc1
InChIInChI=1S/C19H21N3O5/c1-26-12-4-2-10(3-5-12)15-16-13(21-9-22-15)6-11(7-20-16)19-18(25)17(24)14(8-23)27-19/h2-5,7,9,11,14,17-19,23-25H,6,8H2,1H3/t11-,14+,17+,18+,19?/m0/s1
InChIKeyCNKPRMBUTPIRAD-HXQVDVHOSA-N
MW371.39 g/mol
LogP0.51
Rot. Bonds4

About (2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol

(2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol (PubChem CID 142808569) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol
PubChem CID142808569
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol
SMILESCOc1ccc(-c2ncnc3c2N=C[C@@H](C2O[C@H](CO)[C@@H](O)[C@H]2O)C3)cc1
InChIInChI=1S/C19H21N3O5/c1-26-12-4-2-10(3-5-12)15-16-13(21-9-22-15)6-11(7-20-16)19-18(25)17(24)14(8-23)27-19/h2-5,7,9,11,14,17-19,23-25H,6,8H2,1H3/t11-,14+,17+,18+,19?/m0/s1
InChIKeyCNKPRMBUTPIRAD-HXQVDVHOSA-N
XLogP0.51
TPSA117.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol with MolForge

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Related Compounds

7-hydroxy-3-(4-methoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 76851628
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-(4-methoxyphenyl)sulfanylpyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 177297084
(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90477358
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 42631536
(2R,3S,4R,5R)-2-[4-(4-fluoroanilino)-3-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 57167769
(2R,3R,4S,5R)-2-(hydroxymethyl)-4-methoxy-6-(4-methoxyphenoxy)oxane-3,5-diol
CID 146660886
(3S,5R,6S,7S,8R,10S,12S)-5-(hydroxymethyl)-12-(4-methoxyphenyl)-15,17-dimethyl-2,4,9,13-tetraoxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),14(18),15-triene-6,7,16-triol
CID 11691140
(3S,6R)-2-(hydroxymethyl)-6-[4-[4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]oxane-3,4,5-triol
CID 134423364
[5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol
CID 156832553
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(4-methoxyphenyl)-1H-purin-6-one
CID 137206115

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol (CID 142808569) is (2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol is COc1ccc(-c2ncnc3c2N=C[C@@H](C2O[C@H](CO)[C@@H](O)[C@H]2O)C3)cc1.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol?
The InChIKey is CNKPRMBUTPIRAD-HXQVDVHOSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-26-12-4-2-10(3-5-12)15-16-13(21-9-22-15)6-11(7-20-16)19-18(25)17(24)14(8-23)27-19/h2-5,7,9,11,14,17-19,23-25H,6,8H2,1H3/t11-,14+,17+,18+,19?/m0/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol has a molecular weight of 371.39 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-5-[(7S)-4-(4-methoxyphenyl)-7,8-dihydropyrido[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol is sourced from PubChem (CID 142808569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).