(2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

C11H13FN4O3S — CID 145010599

IUPAC(2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c(C3O[C@](N)(CO)[C@@H](O)[C@H]3F)csc12
InChIInChI=1S/C11H13FN4O3S/c12-5-7(19-11(14,2-17)9(5)18)4-1-20-8-6(4)15-3-16-10(8)13/h1,3,5,7,9,17-18H,2,14H2,(H2,13,15,16)/t5-,7?,9-,11+/m0/s1
InChIKeyXHQNTJLYZMPPHD-DKHSPPERSA-N
MW300.31 g/mol
LogP-0.31
Rot. Bonds2

About (2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

(2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 145010599) has the molecular formula C11H13FN4O3S and a molecular weight of 300.31 g/mol. Its IUPAC name is (2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID145010599
Molecular FormulaC11H13FN4O3S
Molecular Weight300.31 g/mol
Exact Mass300.07
IUPAC Name(2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c(C3O[C@](N)(CO)[C@@H](O)[C@H]3F)csc12
InChIInChI=1S/C11H13FN4O3S/c12-5-7(19-11(14,2-17)9(5)18)4-1-20-8-6(4)15-3-16-10(8)13/h1,3,5,7,9,17-18H,2,14H2,(H2,13,15,16)/t5-,7?,9-,11+/m0/s1
InChIKeyXHQNTJLYZMPPHD-DKHSPPERSA-N
XLogP-0.31
TPSA127.51 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3R,4R,5S)-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 118674198
(2R,3S,4R,5S)-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-2,4-diazido-2-(hydroxymethyl)oxolan-3-ol
CID 118674183
N-[7-[(2S,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]thieno[3,2-d]pyrimidin-4-yl]benzamide
CID 118683760
7-ethylthieno[3,2-d]pyrimidin-4-amine
CID 130182764
7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol
CID 170601310
(2R,3S,4R)-3-(4-aminothieno[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile
CID 146471358
(2R,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-4-chloro-2-ethyl-2-(hydroxymethyl)oxolan-3-ol
CID 118683798
N-[[(3aS,4S,6R,6aR)-4-(4-aminothieno[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-sulfonamide
CID 170395235
[[(2S,3R,4R,5S)-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-3-(methylamino)oxolan-2-yl]methoxy-hydroxyphosphinothioyl] [6-[(1R)-1-fluoro-2-hydroxyethyl]-3,4,5-trihydroxyoxepan-2-yl] hydrogen phosphate
CID 167120948
acetonitrile;azane;N-[7-[(2S,3R,4R,5R)-5-cyano-5-ethyl-3-fluoro-4-methyloxolan-2-yl]thieno[3,2-d]pyrimidin-4-yl]benzamide;bis(N-[7-[(2S,3R,4R,5R)-5-cyano-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-yl]benzamide);deuterio(iodo)methane;N-[7-[(2S,3R,4R,5R)-5-ethyl-3-fluoro-5-[(E)-hydroxyiminomethyl]-4-methyloxolan-2-yl]thieno[3,2-d]pyrimidin-4-yl]benzamide;methanol;oxolane
CID 172953206
(2R,3R,4R,5S)-5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile
CID 118060977
2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14886755

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 145010599) is (2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is Nc1ncnc2c(C3O[C@](N)(CO)[C@@H](O)[C@H]3F)csc12.
What is the InChIKey of (2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is XHQNTJLYZMPPHD-DKHSPPERSA-N. The full InChI is InChI=1S/C11H13FN4O3S/c12-5-7(19-11(14,2-17)9(5)18)4-1-20-8-6(4)15-3-16-10(8)13/h1,3,5,7,9,17-18H,2,14H2,(H2,13,15,16)/t5-,7?,9-,11+/m0/s1.
What are the key properties of (2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 300.31 g/mol, XLogP of -0.31, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-amino-5-(4-aminothieno[3,2-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 145010599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).