2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol

C16H16N4O — CID 4263868

IUPAC2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(-n2nc(C)cc2C)nc(-c2ccccc2O)n1
InChIInChI=1S/C16H16N4O/c1-10-9-15(20-12(3)8-11(2)19-20)18-16(17-10)13-6-4-5-7-14(13)21/h4-9,21H,1-3H3
InChIKeyFKKLIHYUSOTODI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.96
Rot. Bonds2

About 2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol

2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol (PubChem CID 4263868) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol
PubChem CID4263868
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(-n2nc(C)cc2C)nc(-c2ccccc2O)n1
InChIInChI=1S/C16H16N4O/c1-10-9-15(20-12(3)8-11(2)19-20)18-16(17-10)13-6-4-5-7-14(13)21/h4-9,21H,1-3H3
InChIKeyFKKLIHYUSOTODI-UHFFFAOYSA-N
XLogP2.96
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol 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-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol (CID 4263868) is 2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol is Cc1cc(-n2nc(C)cc2C)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol?
The InChIKey is FKKLIHYUSOTODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-9-15(20-12(3)8-11(2)19-20)18-16(17-10)13-6-4-5-7-14(13)21/h4-9,21H,1-3H3.
What are the key properties of 2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol?
2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol has a molecular weight of 280.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 4263868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).