6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C7H7N3O2 — CID 137288238

IUPAC6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]c(CO)cc12
InChIInChI=1S/C7H7N3O2/c11-2-4-1-5-6(10-4)8-3-9-7(5)12/h1,3,11H,2H2,(H2,8,9,10,12)
InChIKeyOCWNJDQAPJOZTJ-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.26
Rot. Bonds1

About 6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137288238) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137288238
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]c(CO)cc12
InChIInChI=1S/C7H7N3O2/c11-2-4-1-5-6(10-4)8-3-9-7(5)12/h1,3,11H,2H2,(H2,8,9,10,12)
InChIKeyOCWNJDQAPJOZTJ-UHFFFAOYSA-N
XLogP-0.26
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 137288238) is 6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2[nH]c(CO)cc12.
What is the InChIKey of 6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is OCWNJDQAPJOZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c11-2-4-1-5-6(10-4)8-3-9-7(5)12/h1,3,11H,2H2,(H2,8,9,10,12).
What are the key properties of 6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 165.15 g/mol, XLogP of -0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137288238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).