1-(2,4-dichloropyrimidin-5-yl)ethanol

C6H6Cl2N2O — CID 15141648

IUPAC1-(2,4-dichloropyrimidin-5-yl)ethanol
SMILESCC(O)c1cnc(Cl)nc1Cl
InChIInChI=1S/C6H6Cl2N2O/c1-3(11)4-2-9-6(8)10-5(4)7/h2-3,11H,1H3
InChIKeyVVFDBFWZTBJSKQ-UHFFFAOYSA-N
MW193.03 g/mol
LogP1.84
Rot. Bonds1

About 1-(2,4-dichloropyrimidin-5-yl)ethanol

1-(2,4-dichloropyrimidin-5-yl)ethanol (PubChem CID 15141648) has the molecular formula C6H6Cl2N2O and a molecular weight of 193.03 g/mol. Its IUPAC name is 1-(2,4-dichloropyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dichloropyrimidin-5-yl)ethanol
PubChem CID15141648
Molecular FormulaC6H6Cl2N2O
Molecular Weight193.03 g/mol
Exact Mass191.99
IUPAC Name1-(2,4-dichloropyrimidin-5-yl)ethanol
SMILESCC(O)c1cnc(Cl)nc1Cl
InChIInChI=1S/C6H6Cl2N2O/c1-3(11)4-2-9-6(8)10-5(4)7/h2-3,11H,1H3
InChIKeyVVFDBFWZTBJSKQ-UHFFFAOYSA-N
XLogP1.84
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloropyrimidin-5-yl)ethanol?
The IUPAC name of 1-(2,4-dichloropyrimidin-5-yl)ethanol (CID 15141648) is 1-(2,4-dichloropyrimidin-5-yl)ethanol.
What is the SMILES notation for 1-(2,4-dichloropyrimidin-5-yl)ethanol?
The canonical SMILES for 1-(2,4-dichloropyrimidin-5-yl)ethanol is CC(O)c1cnc(Cl)nc1Cl.
What is the InChIKey of 1-(2,4-dichloropyrimidin-5-yl)ethanol?
The InChIKey is VVFDBFWZTBJSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O/c1-3(11)4-2-9-6(8)10-5(4)7/h2-3,11H,1H3.
What are the key properties of 1-(2,4-dichloropyrimidin-5-yl)ethanol?
1-(2,4-dichloropyrimidin-5-yl)ethanol has a molecular weight of 193.03 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloropyrimidin-5-yl)ethanol is sourced from PubChem (CID 15141648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).