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

C14H15FN2O2 — CID 64758142

IUPAC2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C(C)(C)c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C14H15FN2O2/c1-8-11(18)16-13(17-12(8)19)14(2,3)9-4-6-10(15)7-5-9/h4-7H,1-3H3,(H2,16,17,18,19)
InChIKeyIRGJTXBGANYSCQ-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.25
Rot. Bonds2

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

2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 64758142) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID64758142
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C(C)(C)c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C14H15FN2O2/c1-8-11(18)16-13(17-12(8)19)14(2,3)9-4-6-10(15)7-5-9/h4-7H,1-3H3,(H2,16,17,18,19)
InChIKeyIRGJTXBGANYSCQ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 64758142) is 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(C(C)(C)c2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is IRGJTXBGANYSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-8-11(18)16-13(17-12(8)19)14(2,3)9-4-6-10(15)7-5-9/h4-7H,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 262.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 64758142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).