4-(2-pyrimidin-4-ylpropan-2-yl)phenol

C13H14N2O — CID 112714060

IUPAC4-(2-pyrimidin-4-ylpropan-2-yl)phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccncn1
InChIInChI=1S/C13H14N2O/c1-13(2,12-7-8-14-9-15-12)10-3-5-11(16)6-4-10/h3-9,16H,1-2H3
InChIKeyMVVATTUVBJKOAI-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.51
Rot. Bonds2

About 4-(2-pyrimidin-4-ylpropan-2-yl)phenol

4-(2-pyrimidin-4-ylpropan-2-yl)phenol (PubChem CID 112714060) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(2-pyrimidin-4-ylpropan-2-yl)phenol.

Molecular Properties

Compound Name4-(2-pyrimidin-4-ylpropan-2-yl)phenol
PubChem CID112714060
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(2-pyrimidin-4-ylpropan-2-yl)phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccncn1
InChIInChI=1S/C13H14N2O/c1-13(2,12-7-8-14-9-15-12)10-3-5-11(16)6-4-10/h3-9,16H,1-2H3
InChIKeyMVVATTUVBJKOAI-UHFFFAOYSA-N
XLogP2.51
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrimidin-4-ylpropan-2-yl)phenol?
The IUPAC name of 4-(2-pyrimidin-4-ylpropan-2-yl)phenol (CID 112714060) is 4-(2-pyrimidin-4-ylpropan-2-yl)phenol.
What is the SMILES notation for 4-(2-pyrimidin-4-ylpropan-2-yl)phenol?
The canonical SMILES for 4-(2-pyrimidin-4-ylpropan-2-yl)phenol is CC(C)(c1ccc(O)cc1)c1ccncn1.
What is the InChIKey of 4-(2-pyrimidin-4-ylpropan-2-yl)phenol?
The InChIKey is MVVATTUVBJKOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-13(2,12-7-8-14-9-15-12)10-3-5-11(16)6-4-10/h3-9,16H,1-2H3.
What are the key properties of 4-(2-pyrimidin-4-ylpropan-2-yl)phenol?
4-(2-pyrimidin-4-ylpropan-2-yl)phenol has a molecular weight of 214.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrimidin-4-ylpropan-2-yl)phenol is sourced from PubChem (CID 112714060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).