5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C6H5N3O — CID 15525019

IUPAC5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2cncnc2N1
InChIInChI=1S/C6H5N3O/c10-5-1-4-2-7-3-8-6(4)9-5/h2-3H,1H2,(H,7,8,9,10)
InChIKeyNCIZQRMMYUHTDP-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.03
Rot. Bonds

About 5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 15525019) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID15525019
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2cncnc2N1
InChIInChI=1S/C6H5N3O/c10-5-1-4-2-7-3-8-6(4)9-5/h2-3H,1H2,(H,7,8,9,10)
InChIKeyNCIZQRMMYUHTDP-UHFFFAOYSA-N
XLogP-0.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 15525019) is 5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is O=C1Cc2cncnc2N1.
What is the InChIKey of 5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is NCIZQRMMYUHTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-5-1-4-2-7-3-8-6(4)9-5/h2-3H,1H2,(H,7,8,9,10).
What are the key properties of 5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 135.13 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 15525019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).