2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C6H3Cl2N3O — CID 83669847

IUPAC2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2c(Cl)nc(Cl)nc2N1
InChIInChI=1S/C6H3Cl2N3O/c7-4-2-1-3(12)9-5(2)11-6(8)10-4/h1H2,(H,9,10,11,12)
InChIKeyIGMUFDAQGZNNIM-UHFFFAOYSA-N
MW204.02 g/mol
LogP1.28
Rot. Bonds

About 2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 83669847) has the molecular formula C6H3Cl2N3O and a molecular weight of 204.02 g/mol. Its IUPAC name is 2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID83669847
Molecular FormulaC6H3Cl2N3O
Molecular Weight204.02 g/mol
Exact Mass202.97
IUPAC Name2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2c(Cl)nc(Cl)nc2N1
InChIInChI=1S/C6H3Cl2N3O/c7-4-2-1-3(12)9-5(2)11-6(8)10-4/h1H2,(H,9,10,11,12)
InChIKeyIGMUFDAQGZNNIM-UHFFFAOYSA-N
XLogP1.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.02
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 83669847) is 2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is O=C1Cc2c(Cl)nc(Cl)nc2N1.
What is the InChIKey of 2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is IGMUFDAQGZNNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3O/c7-4-2-1-3(12)9-5(2)11-6(8)10-4/h1H2,(H,9,10,11,12).
What are the key properties of 2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 204.02 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 83669847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).