2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol

C17H18N4O2 — CID 876620

IUPAC2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol
SMILESCc1cc(C)nc(-n2nc(C)c(Oc3ccccc3O)c2C)n1
InChIInChI=1S/C17H18N4O2/c1-10-9-11(2)19-17(18-10)21-13(4)16(12(3)20-21)23-15-8-6-5-7-14(15)22/h5-9,22H,1-4H3
InChIKeyWBFGENFDQSKNHU-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.39
Rot. Bonds3

About 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol

2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol (PubChem CID 876620) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol.

Molecular Properties

Compound Name2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol
PubChem CID876620
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol
SMILESCc1cc(C)nc(-n2nc(C)c(Oc3ccccc3O)c2C)n1
InChIInChI=1S/C17H18N4O2/c1-10-9-11(2)19-17(18-10)21-13(4)16(12(3)20-21)23-15-8-6-5-7-14(15)22/h5-9,22H,1-4H3
InChIKeyWBFGENFDQSKNHU-UHFFFAOYSA-N
XLogP3.39
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol?
The IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol (CID 876620) is 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol.
What is the SMILES notation for 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol?
The canonical SMILES for 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol is Cc1cc(C)nc(-n2nc(C)c(Oc3ccccc3O)c2C)n1.
What is the InChIKey of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol?
The InChIKey is WBFGENFDQSKNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-9-11(2)19-17(18-10)21-13(4)16(12(3)20-21)23-15-8-6-5-7-14(15)22/h5-9,22H,1-4H3.
What are the key properties of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol?
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol has a molecular weight of 310.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol is sourced from PubChem (CID 876620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).