2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one

C16H16N4O2 — CID 664296

IUPAC2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one
SMILESCc1cc(-n2[nH]c(C)c(C)c2=O)nc(-c2ccccc2O)n1
InChIInChI=1S/C16H16N4O2/c1-9-8-14(20-16(22)10(2)11(3)19-20)18-15(17-9)12-6-4-5-7-13(12)21/h4-8,19,21H,1-3H3
InChIKeyOXTSPOIPCTXDDI-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.25
Rot. Bonds2

About 2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one

2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one (PubChem CID 664296) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one
PubChem CID664296
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one
SMILESCc1cc(-n2[nH]c(C)c(C)c2=O)nc(-c2ccccc2O)n1
InChIInChI=1S/C16H16N4O2/c1-9-8-14(20-16(22)10(2)11(3)19-20)18-15(17-9)12-6-4-5-7-13(12)21/h4-8,19,21H,1-3H3
InChIKeyOXTSPOIPCTXDDI-UHFFFAOYSA-N
XLogP2.25
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one?
The IUPAC name of 2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one (CID 664296) is 2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one is Cc1cc(-n2[nH]c(C)c(C)c2=O)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one?
The InChIKey is OXTSPOIPCTXDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-9-8-14(20-16(22)10(2)11(3)19-20)18-15(17-9)12-6-4-5-7-13(12)21/h4-8,19,21H,1-3H3.
What are the key properties of 2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one?
2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one has a molecular weight of 296.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-4,5-dimethyl-1H-pyrazol-3-one is sourced from PubChem (CID 664296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).