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

C16H16FN3O — CID 53193698

IUPAC2-(4-fluorophenyl)-4-methyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCN1C(=O)Cc2c(C)nc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C16H16FN3O/c1-3-8-20-14(21)9-13-10(2)18-15(19-16(13)20)11-4-6-12(17)7-5-11/h4-7H,3,8-9H2,1-2H3
InChIKeyOVMXAXWWIJDHNH-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.89
Rot. Bonds3

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

2-(4-fluorophenyl)-4-methyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 53193698) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID53193698
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-(4-fluorophenyl)-4-methyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCN1C(=O)Cc2c(C)nc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C16H16FN3O/c1-3-8-20-14(21)9-13-10(2)18-15(19-16(13)20)11-4-6-12(17)7-5-11/h4-7H,3,8-9H2,1-2H3
InChIKeyOVMXAXWWIJDHNH-UHFFFAOYSA-N
XLogP2.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 53193698) is 2-(4-fluorophenyl)-4-methyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCCN1C(=O)Cc2c(C)nc(-c3ccc(F)cc3)nc21.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is OVMXAXWWIJDHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-3-8-20-14(21)9-13-10(2)18-15(19-16(13)20)11-4-6-12(17)7-5-11/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-methyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
2-(4-fluorophenyl)-4-methyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 285.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 53193698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).