1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one

C6H5N3O — CID 24888096

IUPAC1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one
SMILESO=c1ncc2cc[nH]c2[nH]1
InChIInChI=1S/C6H5N3O/c10-6-8-3-4-1-2-7-5(4)9-6/h1-3H,(H2,7,8,9,10)
InChIKeyMXQACMJEKYMFOM-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.25
Rot. Bonds

About 1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one

1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 24888096) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID24888096
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one
SMILESO=c1ncc2cc[nH]c2[nH]1
InChIInChI=1S/C6H5N3O/c10-6-8-3-4-1-2-7-5(4)9-6/h1-3H,(H2,7,8,9,10)
InChIKeyMXQACMJEKYMFOM-UHFFFAOYSA-N
XLogP0.25
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one (CID 24888096) is 1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one is O=c1ncc2cc[nH]c2[nH]1.
What is the InChIKey of 1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is MXQACMJEKYMFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-6-8-3-4-1-2-7-5(4)9-6/h1-3H,(H2,7,8,9,10).
What are the key properties of 1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one?
1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 135.13 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 24888096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).