(2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol

C14H18FN3O4 — CID 90348039

IUPAC(2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol
SMILESCc1ncnc2c1c(F)cn2[C@@H]1O[C@H]([C@H](C)O)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C14H18FN3O4/c1-6-9-8(15)4-18(12(9)17-5-16-6)13-14(3,21)11(20)10(22-13)7(2)19/h4-5,7,10-11,13,19-21H,1-3H3/t7-,10+,11+,13+,14+/m0/s1
InChIKeyQXOCNUUSNRPVAC-DMBDQUIWSA-N
MW311.31 g/mol
LogP0.27
Rot. Bonds2

About (2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol

(2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol (PubChem CID 90348039) has the molecular formula C14H18FN3O4 and a molecular weight of 311.31 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol
PubChem CID90348039
Molecular FormulaC14H18FN3O4
Molecular Weight311.31 g/mol
Exact Mass311.13
IUPAC Name(2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol
SMILESCc1ncnc2c1c(F)cn2[C@@H]1O[C@H]([C@H](C)O)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C14H18FN3O4/c1-6-9-8(15)4-18(12(9)17-5-16-6)13-14(3,21)11(20)10(22-13)7(2)19/h4-5,7,10-11,13,19-21H,1-3H3/t7-,10+,11+,13+,14+/m0/s1
InChIKeyQXOCNUUSNRPVAC-DMBDQUIWSA-N
XLogP0.27
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol with MolForge

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Related Compounds

(2R,3R,5R)-2-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 90191232
(2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(1-hydroxypropyl)-3-methyloxolane-3,4-diol
CID 71487534
(2R,3R,4S,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)methyl]oxolane-3,4-diol
CID 122496795
(4R)-2-[4-amino-5-(dihydroxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 71178652
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 59504127
(2R,3R,4R,5R)-5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 71732232
5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 73009197
(2R,3S,4R,5S)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-azido-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 173482500
propan-2-yl (2S)-2-[[[(2R,3S,4R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phosphanyloxyphosphoryl]amino]propanoate
CID 130470088
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-[4-methyl-5-[2-(1,3-thiazol-2-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol
CID 171351880
(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methyl-2-(6-methylpurin-9-yl)oxolane-3,4-diol
CID 58691067
(2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 11281315

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol (CID 90348039) is (2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol is Cc1ncnc2c1c(F)cn2[C@@H]1O[C@H]([C@H](C)O)[C@@H](O)[C@@]1(C)O.
What is the InChIKey of (2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol?
The InChIKey is QXOCNUUSNRPVAC-DMBDQUIWSA-N. The full InChI is InChI=1S/C14H18FN3O4/c1-6-9-8(15)4-18(12(9)17-5-16-6)13-14(3,21)11(20)10(22-13)7(2)19/h4-5,7,10-11,13,19-21H,1-3H3/t7-,10+,11+,13+,14+/m0/s1.
What are the key properties of (2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol?
(2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol has a molecular weight of 311.31 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1S)-1-hydroxyethyl]-3-methyloxolane-3,4-diol is sourced from PubChem (CID 90348039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).