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

C15H14FN3O — CID 53193699

IUPAC7-ethyl-2-(4-fluorophenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCN1C(=O)Cc2c(C)nc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C15H14FN3O/c1-3-19-13(20)8-12-9(2)17-14(18-15(12)19)10-4-6-11(16)7-5-10/h4-7H,3,8H2,1-2H3
InChIKeyFOIFNIYHLWLYEB-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.50
Rot. Bonds2

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

7-ethyl-2-(4-fluorophenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 53193699) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 7-ethyl-2-(4-fluorophenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-ethyl-2-(4-fluorophenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID53193699
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name7-ethyl-2-(4-fluorophenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCN1C(=O)Cc2c(C)nc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C15H14FN3O/c1-3-19-13(20)8-12-9(2)17-14(18-15(12)19)10-4-6-11(16)7-5-10/h4-7H,3,8H2,1-2H3
InChIKeyFOIFNIYHLWLYEB-UHFFFAOYSA-N
XLogP2.50
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(4-fluorophenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-ethyl-2-(4-fluorophenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 53193699) is 7-ethyl-2-(4-fluorophenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-ethyl-2-(4-fluorophenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-ethyl-2-(4-fluorophenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCN1C(=O)Cc2c(C)nc(-c3ccc(F)cc3)nc21.
What is the InChIKey of 7-ethyl-2-(4-fluorophenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is FOIFNIYHLWLYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-3-19-13(20)8-12-9(2)17-14(18-15(12)19)10-4-6-11(16)7-5-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 7-ethyl-2-(4-fluorophenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-ethyl-2-(4-fluorophenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 271.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(4-fluorophenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 53193699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).