7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C11H14N4O4 — CID 135965877

IUPAC7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c([C@@]3(CO)NC[C@H](O)[C@@H]3O)c[nH]c12
InChIInChI=1S/C11H14N4O4/c16-3-11(9(18)6(17)2-15-11)5-1-12-8-7(5)13-4-14-10(8)19/h1,4,6,9,12,15-18H,2-3H2,(H,13,14,19)/t6-,9-,11+/m0/s1
InChIKeyAEUGGDFVABOKCJ-DQBIJJQNSA-N
MW266.26 g/mol
LogP-2.24
Rot. Bonds2

About 7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135965877) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135965877
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c([C@@]3(CO)NC[C@H](O)[C@@H]3O)c[nH]c12
InChIInChI=1S/C11H14N4O4/c16-3-11(9(18)6(17)2-15-11)5-1-12-8-7(5)13-4-14-10(8)19/h1,4,6,9,12,15-18H,2-3H2,(H,13,14,19)/t6-,9-,11+/m0/s1
InChIKeyAEUGGDFVABOKCJ-DQBIJJQNSA-N
XLogP-2.24
TPSA134.26 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.26
LogP ≤ 5-2.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

Forodesine
CID 135409409
Ulodesine
CID 135449518
5'-Methylthio-ImmH
CID 135509131
Immucillin G
CID 135445969
((2R,3R,4S,5S)-3,4-Dihydroxy-5-(4-oxo-4,5-dihydro-1H-pyrrolo(3,2-d)pyrimidin-7-yl)-2-pyrrolidinyl)methyl dihydrogen phosphate
CID 135509110
Forodesine Hydrochloride
CID 135449327
7-({[(1r,2s)-2,3-Dihydroxy-1-(Hydroxymethyl)propyl]amino}methyl)-3,5-Dihydro-4h-Pyrrolo[3,2-D]pyrimidin-4-One
CID 135566506
5''-phenylthio-ImmH
CID 135981935
7-((2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135407786
7-(((3S,4S)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135487459
7-[[(3R,4R)-3-hydroxy-4-[hydroxy(tritio)methyl]pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135620615
Phosphoric acid mono-[5-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-D]pyrimidin-7-YL)-3,4-dihydroxy-pyrrolidin-2-ylmethyl] ester
CID 135461002

Frequently Asked Questions

What is the IUPAC name of 7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135965877) is 7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c([C@@]3(CO)NC[C@H](O)[C@@H]3O)c[nH]c12.
What is the InChIKey of 7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is AEUGGDFVABOKCJ-DQBIJJQNSA-N. The full InChI is InChI=1S/C11H14N4O4/c16-3-11(9(18)6(17)2-15-11)5-1-12-8-7(5)13-4-14-10(8)19/h1,4,6,9,12,15-18H,2-3H2,(H,13,14,19)/t6-,9-,11+/m0/s1.
What are the key properties of 7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 266.26 g/mol, XLogP of -2.24, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135965877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).