3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one

C16H14FN3O3 — CID 135432912

IUPAC3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(c2cc(OCc3ccc(F)cc3)ncn2)=C(O)C1=O
InChIInChI=1S/C16H14FN3O3/c1-20-7-12(15(21)16(20)22)13-6-14(19-9-18-13)23-8-10-2-4-11(17)5-3-10/h2-6,9,21H,7-8H2,1H3
InChIKeyMASWOMIZSSPXFG-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.94
Rot. Bonds4

About 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one

3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 135432912) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID135432912
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(c2cc(OCc3ccc(F)cc3)ncn2)=C(O)C1=O
InChIInChI=1S/C16H14FN3O3/c1-20-7-12(15(21)16(20)22)13-6-14(19-9-18-13)23-8-10-2-4-11(17)5-3-10/h2-6,9,21H,7-8H2,1H3
InChIKeyMASWOMIZSSPXFG-UHFFFAOYSA-N
XLogP1.94
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (CID 135432912) is 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one is CN1CC(c2cc(OCc3ccc(F)cc3)ncn2)=C(O)C1=O.
What is the InChIKey of 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is MASWOMIZSSPXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-20-7-12(15(21)16(20)22)13-6-14(19-9-18-13)23-8-10-2-4-11(17)5-3-10/h2-6,9,21H,7-8H2,1H3.
What are the key properties of 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 315.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 135432912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).