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

C6H6Cl2N2O — CID 57399552

IUPAC2-(2,4-dichloropyrimidin-5-yl)ethanol
SMILESOCCc1cnc(Cl)nc1Cl
InChIInChI=1S/C6H6Cl2N2O/c7-5-4(1-2-11)3-9-6(8)10-5/h3,11H,1-2H2
InChIKeyNVXYMEZKQZEHER-UHFFFAOYSA-N
MW193.03 g/mol
LogP1.32
Rot. Bonds2

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

2-(2,4-dichloropyrimidin-5-yl)ethanol (PubChem CID 57399552) has the molecular formula C6H6Cl2N2O and a molecular weight of 193.03 g/mol. Its IUPAC name is 2-(2,4-dichloropyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-dichloropyrimidin-5-yl)ethanol
PubChem CID57399552
Molecular FormulaC6H6Cl2N2O
Molecular Weight193.03 g/mol
Exact Mass191.99
IUPAC Name2-(2,4-dichloropyrimidin-5-yl)ethanol
SMILESOCCc1cnc(Cl)nc1Cl
InChIInChI=1S/C6H6Cl2N2O/c7-5-4(1-2-11)3-9-6(8)10-5/h3,11H,1-2H2
InChIKeyNVXYMEZKQZEHER-UHFFFAOYSA-N
XLogP1.32
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichloro-5-(beta-chloroethyl)pyrimidine
CID 56835046
2-(2,4-Dichloropyrimidin-5-yl)ethyl acetate
CID 57396089
2,4-Dichloro-5-ethylpyrimidine
CID 10012458
1-(2,4-Dichloropyrimidin-5-yl)ethan-1-ol
CID 15141648
2-(4,6-Dichloropyrimidin-5-yl)ethan-1-ol
CID 52988146
2-[2-(Methylsulfanyl)pyrimidin-5-yl]ethan-1-ol
CID 83674449
5-Hydroxyethyl-2-methylpyrimidine
CID 19086651
2-(Pyrimidin-5-yl)ethan-1-ol
CID 22134702
(4-Chloropyrimidin-5-yl)methanol
CID 22987934
2-[2-(Trifluoromethyl)pyrimidin-5-yl]ethanol
CID 67212885
2,4-Dichloro-5-(3-fluorooxetan-3-yl)pyrimidine
CID 169118936
1-Fluoro-2-(2-methylpyrimidin-5-yl)ethanol
CID 174669816

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloropyrimidin-5-yl)ethanol?
The IUPAC name of 2-(2,4-dichloropyrimidin-5-yl)ethanol (CID 57399552) is 2-(2,4-dichloropyrimidin-5-yl)ethanol.
What is the SMILES notation for 2-(2,4-dichloropyrimidin-5-yl)ethanol?
The canonical SMILES for 2-(2,4-dichloropyrimidin-5-yl)ethanol is OCCc1cnc(Cl)nc1Cl.
What is the InChIKey of 2-(2,4-dichloropyrimidin-5-yl)ethanol?
The InChIKey is NVXYMEZKQZEHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O/c7-5-4(1-2-11)3-9-6(8)10-5/h3,11H,1-2H2.
What are the key properties of 2-(2,4-dichloropyrimidin-5-yl)ethanol?
2-(2,4-dichloropyrimidin-5-yl)ethanol has a molecular weight of 193.03 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloropyrimidin-5-yl)ethanol is sourced from PubChem (CID 57399552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).