(2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C14H17N3O5 — CID 11652458

IUPAC(2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2coc3c(N4CCC4)ncnc23)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H17N3O5/c18-4-8-10(19)11(20)12(22-8)7-5-21-13-9(7)15-6-16-14(13)17-2-1-3-17/h5-6,8,10-12,18-20H,1-4H2/t8-,10-,11-,12+/m1/s1
InChIKeyOILZJOZPEHCLFF-HKWIRBFKSA-N
MW307.31 g/mol
LogP-0.41
Rot. Bonds3

About (2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol

(2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 11652458) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID11652458
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name(2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2coc3c(N4CCC4)ncnc23)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H17N3O5/c18-4-8-10(19)11(20)12(22-8)7-5-21-13-9(7)15-6-16-14(13)17-2-1-3-17/h5-6,8,10-12,18-20H,1-4H2/t8-,10-,11-,12+/m1/s1
InChIKeyOILZJOZPEHCLFF-HKWIRBFKSA-N
XLogP-0.41
TPSA112.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 11952888
2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14886755
(2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11952930
(2R,3R,4R,5S)-5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 58676024
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-(6-piperidin-1-ylpurin-9-yl)oxolane-3,4-diol
CID 928080
(2R,3S,4R)-2-(hydroxymethyl)-5-[6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)purin-9-yl]oxolane-3,4-diol
CID 10135424
(2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 59859718
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-iodo-3-pyridinyl)oxolane-3,4-diol
CID 91505027
7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-4-thione
CID 23253156
2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol
CID 20513127
(2S,3R,4S,5R)-2-(4-amino-5-benzylpyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11428246
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;ethane
CID 90993426

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 11652458) is (2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@@H](c2coc3c(N4CCC4)ncnc23)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is OILZJOZPEHCLFF-HKWIRBFKSA-N. The full InChI is InChI=1S/C14H17N3O5/c18-4-8-10(19)11(20)12(22-8)7-5-21-13-9(7)15-6-16-14(13)17-2-1-3-17/h5-6,8,10-12,18-20H,1-4H2/t8-,10-,11-,12+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 307.31 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 11652458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).