2,4-dichloro-5-ethoxypyrimidine

C6H6Cl2N2O — CID 15565270

IUPAC2,4-dichloro-5-ethoxypyrimidine
SMILESCCOc1cnc(Cl)nc1Cl
InChIInChI=1S/C6H6Cl2N2O/c1-2-11-4-3-9-6(8)10-5(4)7/h3H,2H2,1H3
InChIKeyLDWUISBWFCSUNG-UHFFFAOYSA-N
MW193.03 g/mol
LogP2.18
Rot. Bonds2

About 2,4-dichloro-5-ethoxypyrimidine

2,4-dichloro-5-ethoxypyrimidine (PubChem CID 15565270) has the molecular formula C6H6Cl2N2O and a molecular weight of 193.03 g/mol. Its IUPAC name is 2,4-dichloro-5-ethoxypyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-ethoxypyrimidine
PubChem CID15565270
Molecular FormulaC6H6Cl2N2O
Molecular Weight193.03 g/mol
Exact Mass191.99
IUPAC Name2,4-dichloro-5-ethoxypyrimidine
SMILESCCOc1cnc(Cl)nc1Cl
InChIInChI=1S/C6H6Cl2N2O/c1-2-11-4-3-9-6(8)10-5(4)7/h3H,2H2,1H3
InChIKeyLDWUISBWFCSUNG-UHFFFAOYSA-N
XLogP2.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dichloro-5-methoxypyrimidine
CID 78720
2-Chloro-5-methoxypyrimidine
CID 589058
2,4-Dichloro-5-methoxypyrimidine
CID 601401
4-Chloro-5-methoxypyrimidine
CID 11008039
5-Methoxypyrimidine
CID 573467
4-Chloro-5-methoxypyrimidin-2-amine
CID 20502175
4-Chloro-5-methoxy-2-methylpyrimidine
CID 22152271
2-Chloro-5-methoxypyrimidin-4-amine
CID 56949538
2-Chloro-5-(propan-2-yloxy)pyrimidine
CID 58057924
4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine
CID 66569543
2-Chloro-5-(2,2,2-trifluoroethoxy)pyrimidine
CID 85673229
4-Chloro-5-methoxypyrimidine-2-carbonitrile
CID 86668900

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-ethoxypyrimidine?
The IUPAC name of 2,4-dichloro-5-ethoxypyrimidine (CID 15565270) is 2,4-dichloro-5-ethoxypyrimidine.
What is the SMILES notation for 2,4-dichloro-5-ethoxypyrimidine?
The canonical SMILES for 2,4-dichloro-5-ethoxypyrimidine is CCOc1cnc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-ethoxypyrimidine?
The InChIKey is LDWUISBWFCSUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O/c1-2-11-4-3-9-6(8)10-5(4)7/h3H,2H2,1H3.
What are the key properties of 2,4-dichloro-5-ethoxypyrimidine?
2,4-dichloro-5-ethoxypyrimidine has a molecular weight of 193.03 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-ethoxypyrimidine is sourced from PubChem (CID 15565270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).