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

C18H18FN3O3 — CID 135829409

IUPAC3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)N1CC(c2cc(OCc3ccc(F)cc3)ncn2)=C(O)C1=O
InChIInChI=1S/C18H18FN3O3/c1-11(2)22-8-14(17(23)18(22)24)15-7-16(21-10-20-15)25-9-12-3-5-13(19)6-4-12/h3-7,10-11,23H,8-9H2,1-2H3
InChIKeyXKQIRXYTIIGFFP-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.71
Rot. Bonds5

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

3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (PubChem CID 135829409) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
PubChem CID135829409
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)N1CC(c2cc(OCc3ccc(F)cc3)ncn2)=C(O)C1=O
InChIInChI=1S/C18H18FN3O3/c1-11(2)22-8-14(17(23)18(22)24)15-7-16(21-10-20-15)25-9-12-3-5-13(19)6-4-12/h3-7,10-11,23H,8-9H2,1-2H3
InChIKeyXKQIRXYTIIGFFP-UHFFFAOYSA-N
XLogP2.71
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 2383474
N-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide
CID 2383493
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-1,2-dihydropyrrol-5-one
CID 135750260
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-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide
CID 2383243
US10150728, Example I-417
CID 122497600
1-(2,6-Dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone
CID 4875068
2-(4-Fluorophenoxy)-1-[3-(2-phenylpyrimidin-4-YL)piperidin-1-YL]ethan-1-one
CID 53137582

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (CID 135829409) is 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one is CC(C)N1CC(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-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is XKQIRXYTIIGFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-11(2)22-8-14(17(23)18(22)24)15-7-16(21-10-20-15)25-9-12-3-5-13(19)6-4-12/h3-7,10-11,23H,8-9H2,1-2H3.
What are the key properties of 3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 343.36 g/mol, XLogP of 2.71, 5 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-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 135829409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).