2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C14H15FN2O2 — CID 55216829

IUPAC2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(-c2nc(O)c(C(C)C)c(=O)[nH]2)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-7(2)11-13(18)16-12(17-14(11)19)9-4-5-10(15)8(3)6-9/h4-7H,1-3H3,(H2,16,17,18,19)
InChIKeyIAGXHHIMBHOEOA-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.71
Rot. Bonds2

About 2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 55216829) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID55216829
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(-c2nc(O)c(C(C)C)c(=O)[nH]2)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-7(2)11-13(18)16-12(17-14(11)19)9-4-5-10(15)8(3)6-9/h4-7H,1-3H3,(H2,16,17,18,19)
InChIKeyIAGXHHIMBHOEOA-UHFFFAOYSA-N
XLogP2.71
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 55216829) is 2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is Cc1cc(-c2nc(O)c(C(C)C)c(=O)[nH]2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is IAGXHHIMBHOEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-7(2)11-13(18)16-12(17-14(11)19)9-4-5-10(15)8(3)6-9/h4-7H,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 262.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 55216829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).