1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol

C16H14N2O — CID 67104352

IUPAC1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol
SMILESCC(O)c1ccc2cc(-c3ncccn3)ccc2c1
InChIInChI=1S/C16H14N2O/c1-11(19)12-3-4-14-10-15(6-5-13(14)9-12)16-17-7-2-8-18-16/h2-11,19H,1H3
InChIKeyRXHGKJNAZFGDLG-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.35
Rot. Bonds2

About 1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol

1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol (PubChem CID 67104352) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol
PubChem CID67104352
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol
SMILESCC(O)c1ccc2cc(-c3ncccn3)ccc2c1
InChIInChI=1S/C16H14N2O/c1-11(19)12-3-4-14-10-15(6-5-13(14)9-12)16-17-7-2-8-18-16/h2-11,19H,1H3
InChIKeyRXHGKJNAZFGDLG-UHFFFAOYSA-N
XLogP3.35
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol?
The IUPAC name of 1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol (CID 67104352) is 1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol.
What is the SMILES notation for 1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol?
The canonical SMILES for 1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol is CC(O)c1ccc2cc(-c3ncccn3)ccc2c1.
What is the InChIKey of 1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol?
The InChIKey is RXHGKJNAZFGDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11(19)12-3-4-14-10-15(6-5-13(14)9-12)16-17-7-2-8-18-16/h2-11,19H,1H3.
What are the key properties of 1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol?
1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol has a molecular weight of 250.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrimidin-2-ylnaphthalen-2-yl)ethanol is sourced from PubChem (CID 67104352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).