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

C14H13F3N2O2 — CID 63611624

IUPAC4-hydroxy-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C14H13F3N2O2/c1-7(2)10-12(20)18-11(19-13(10)21)8-3-5-9(6-4-8)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20,21)
InChIKeyYOMHBBNSJIKUAF-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.28
Rot. Bonds2

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

4-hydroxy-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (PubChem CID 63611624) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 4-hydroxy-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
PubChem CID63611624
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name4-hydroxy-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C14H13F3N2O2/c1-7(2)10-12(20)18-11(19-13(10)21)8-3-5-9(6-4-8)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20,21)
InChIKeyYOMHBBNSJIKUAF-UHFFFAOYSA-N
XLogP3.28
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (CID 63611624) is 4-hydroxy-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is CC(C)c1c(O)nc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is YOMHBBNSJIKUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-7(2)10-12(20)18-11(19-13(10)21)8-3-5-9(6-4-8)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-hydroxy-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
4-hydroxy-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 298.26 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 63611624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).