5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one

C12H11FN2O3 — CID 79438809

IUPAC5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(O)c(-c2cccc(F)c2)c(=O)[nH]1
InChIInChI=1S/C12H11FN2O3/c1-18-6-9-14-11(16)10(12(17)15-9)7-3-2-4-8(13)5-7/h2-5H,6H2,1H3,(H2,14,15,16,17)
InChIKeyHXHKWWYLKJKBGY-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.43
Rot. Bonds3

About 5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one

5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 79438809) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID79438809
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(O)c(-c2cccc(F)c2)c(=O)[nH]1
InChIInChI=1S/C12H11FN2O3/c1-18-6-9-14-11(16)10(12(17)15-9)7-3-2-4-8(13)5-7/h2-5H,6H2,1H3,(H2,14,15,16,17)
InChIKeyHXHKWWYLKJKBGY-UHFFFAOYSA-N
XLogP1.43
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 79438809) is 5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1nc(O)c(-c2cccc(F)c2)c(=O)[nH]1.
What is the InChIKey of 5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is HXHKWWYLKJKBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-18-6-9-14-11(16)10(12(17)15-9)7-3-2-4-8(13)5-7/h2-5H,6H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one?
5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 250.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79438809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).