3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1,2-dihydropyrrol-5-one

C15H12FN3O3 — CID 135750260

IUPAC3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(c2cc(OCc3ccc(F)cc3)ncn2)=C1O
InChIInChI=1S/C15H12FN3O3/c16-10-3-1-9(2-4-10)7-22-13-5-12(18-8-19-13)11-6-17-15(21)14(11)20/h1-5,8,20H,6-7H2,(H,17,21)
InChIKeyUUDUGSODSHTEPN-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.59
Rot. Bonds4

About 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1,2-dihydropyrrol-5-one

3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 135750260) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID135750260
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(c2cc(OCc3ccc(F)cc3)ncn2)=C1O
InChIInChI=1S/C15H12FN3O3/c16-10-3-1-9(2-4-10)7-22-13-5-12(18-8-19-13)11-6-17-15(21)14(11)20/h1-5,8,20H,6-7H2,(H,17,21)
InChIKeyUUDUGSODSHTEPN-UHFFFAOYSA-N
XLogP1.59
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide
CID 2104149
N-cyclopentyl-2-quinazolin-4-yloxyacetamide
CID 2371118
3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 135432912
3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-isopropyl-2H-pyrrol-5-one
CID 135829409
3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 135829411
3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one
CID 135829432
3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 135829439
3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 135829451
N-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide
CID 4875945
N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide
CID 5064245
N-[1-[4-[2-(6-phenylmethoxypyrimidin-4-yl)ethynyl]phenyl]propan-2-yl]acetamide
CID 90429519
US10150728, Example I-417
CID 122497600

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1,2-dihydropyrrol-5-one (CID 135750260) is 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1,2-dihydropyrrol-5-one is O=C1NCC(c2cc(OCc3ccc(F)cc3)ncn2)=C1O.
What is the InChIKey of 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is UUDUGSODSHTEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c16-10-3-1-9(2-4-10)7-22-13-5-12(18-8-19-13)11-6-17-15(21)14(11)20/h1-5,8,20H,6-7H2,(H,17,21).
What are the key properties of 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1,2-dihydropyrrol-5-one?
3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 301.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 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-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 135750260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).