7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C9H11N3O3 — CID 135408236

IUPAC7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(COCCO)c[nH]c12
InChIInChI=1S/C9H11N3O3/c13-1-2-15-4-6-3-10-8-7(6)11-5-12-9(8)14/h3,5,10,13H,1-2,4H2,(H,11,12,14)
InChIKeyCWOXLHVCMIKVSP-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.24
Rot. Bonds4

About 7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135408236) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135408236
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(COCCO)c[nH]c12
InChIInChI=1S/C9H11N3O3/c13-1-2-15-4-6-3-10-8-7(6)11-5-12-9(8)14/h3,5,10,13H,1-2,4H2,(H,11,12,14)
InChIKeyCWOXLHVCMIKVSP-UHFFFAOYSA-N
XLogP-0.24
TPSA91.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-Deazainosine
CID 135483765
7-[[[(2R,3S)-3,4-dihydroxy-2-(hydroxymethyl)butyl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135858786
7-[[[3,4-Dihydroxy-2-(hydroxymethyl)butyl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135914706
3-((4-Hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino)-propanol
CID 135858789
(R)-3-((4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino)propane-1,2-diol
CID 135723755
7-({[(2S)-2,3-Dihydroxypropyl]amino}methyl)-3,5-dihydro-4Hpyrrolo[3,2-d]pyrimidin-4-one
CID 135723767
7-({[(2S,3R)-2,3,4-Trihydroxybutyl]amino}methyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135858795
7-((2-hydroxyethylamino)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135858821
7-(((4-hydroxybutyl)amino)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135858823
7-({[3-Hydroxy-2-(hydroxymethyl)propyl]amino}methyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135914708
7-[(2,3,4-Trihydroxybutylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136008868
7-[(3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135976350

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135408236) is 7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c(COCCO)c[nH]c12.
What is the InChIKey of 7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is CWOXLHVCMIKVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-1-2-15-4-6-3-10-8-7(6)11-5-12-9(8)14/h3,5,10,13H,1-2,4H2,(H,11,12,14).
What are the key properties of 7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 209.20 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135408236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).