4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one

C14H16N2O2 — CID 65428960

IUPAC4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one
SMILESCC(C)Cc1nc(O)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H16N2O2/c1-9(2)8-11-15-13(17)12(14(18)16-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyUCNHMILPLHWHQL-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.34
Rot. Bonds3

About 4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one

4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one (PubChem CID 65428960) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one
PubChem CID65428960
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one
SMILESCC(C)Cc1nc(O)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H16N2O2/c1-9(2)8-11-15-13(17)12(14(18)16-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyUCNHMILPLHWHQL-UHFFFAOYSA-N
XLogP2.34
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one (CID 65428960) is 4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one is CC(C)Cc1nc(O)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is UCNHMILPLHWHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(2)8-11-15-13(17)12(14(18)16-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one?
4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one has a molecular weight of 244.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methylpropyl)-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 65428960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).