5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one

C13H10Cl2N4O — CID 154954876

IUPAC5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCn1cnc2[nH]cc(-c3cnc(Cl)c(Cl)c3)c2c1=O
InChIInChI=1S/C13H10Cl2N4O/c1-2-19-6-18-12-10(13(19)20)8(5-17-12)7-3-9(14)11(15)16-4-7/h3-6,17H,2H2,1H3
InChIKeyXLKTVWKCFIDICI-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.11
Rot. Bonds2

About 5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one

5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 154954876) has the molecular formula C13H10Cl2N4O and a molecular weight of 309.16 g/mol. Its IUPAC name is 5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID154954876
Molecular FormulaC13H10Cl2N4O
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCn1cnc2[nH]cc(-c3cnc(Cl)c(Cl)c3)c2c1=O
InChIInChI=1S/C13H10Cl2N4O/c1-2-19-6-18-12-10(13(19)20)8(5-17-12)7-3-9(14)11(15)16-4-7/h3-6,17H,2H2,1H3
InChIKeyXLKTVWKCFIDICI-UHFFFAOYSA-N
XLogP3.11
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[5-(4-chlorophenyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]acetaldehyde
CID 154954680
5-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 129227471
5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one
CID 2792004
7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 139219379
3-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7673676
3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine
CID 24784987
N-(3-chloro-4-methylphenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 29110315
4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine
CID 158168074
3-ethyl-6-methylquinazolin-4-one
CID 70641598
3-[(2,4-dichlorophenyl)methyl]-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-one
CID 2792202
5,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 167796604
6-chloro-3-[2-(1-ethylpyrazol-4-yl)ethyl]-7-fluoroquinazolin-4-one
CID 138001717

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one (CID 154954876) is 5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one is CCn1cnc2[nH]cc(-c3cnc(Cl)c(Cl)c3)c2c1=O.
What is the InChIKey of 5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is XLKTVWKCFIDICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O/c1-2-19-6-18-12-10(13(19)20)8(5-17-12)7-3-9(14)11(15)16-4-7/h3-6,17H,2H2,1H3.
What are the key properties of 5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 309.16 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dichloro-3-pyridinyl)-3-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 154954876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).