4,5-dichloro-6-ethylpyrimidine

C6H6Cl2N2 — CID 11137668

IUPAC4,5-dichloro-6-ethylpyrimidine
SMILESCCc1ncnc(Cl)c1Cl
InChIInChI=1S/C6H6Cl2N2/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3
InChIKeyRPVZESOQOOPTGU-UHFFFAOYSA-N
MW177.03 g/mol
LogP2.35
Rot. Bonds1

About 4,5-dichloro-6-ethylpyrimidine

4,5-dichloro-6-ethylpyrimidine (PubChem CID 11137668) has the molecular formula C6H6Cl2N2 and a molecular weight of 177.03 g/mol. Its IUPAC name is 4,5-dichloro-6-ethylpyrimidine.

Molecular Properties

Compound Name4,5-dichloro-6-ethylpyrimidine
PubChem CID11137668
Molecular FormulaC6H6Cl2N2
Molecular Weight177.03 g/mol
Exact Mass175.99
IUPAC Name4,5-dichloro-6-ethylpyrimidine
SMILESCCc1ncnc(Cl)c1Cl
InChIInChI=1S/C6H6Cl2N2/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3
InChIKeyRPVZESOQOOPTGU-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dichloro-4,6-dimethylpyrimidine
CID 13880911
4-Chloro-6-ethyl-5-fluoropyrimidine
CID 16743445
2,4,5-Trichloro-6-ethylpyrimidine
CID 246015
4-Chloro-6-(propan-2-yl)pyrimidine
CID 22308480
4-(1-Bromoethyl)-6-chloro-5-fluoropyrimidine
CID 10911633
4-Chloro-6-ethylpyrimidine
CID 11137271
4,5-Dichloro-6-isopropylpyrimidine
CID 19371731
5-Bromo-4-chloro-6-ethylpyrimidine
CID 21252672
5-Bromo-4-chloro-6-(propan-2-yl)pyrimidine
CID 24903876
4-Butyl-6-chloropyrimidine
CID 33676399
4-Chloro-5-ethyl-6-methylpyrimidine
CID 61252025
2-(6-Chloropyrimidin-4-yl)acetonitrile
CID 71565337

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-6-ethylpyrimidine?
The IUPAC name of 4,5-dichloro-6-ethylpyrimidine (CID 11137668) is 4,5-dichloro-6-ethylpyrimidine.
What is the SMILES notation for 4,5-dichloro-6-ethylpyrimidine?
The canonical SMILES for 4,5-dichloro-6-ethylpyrimidine is CCc1ncnc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-6-ethylpyrimidine?
The InChIKey is RPVZESOQOOPTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3.
What are the key properties of 4,5-dichloro-6-ethylpyrimidine?
4,5-dichloro-6-ethylpyrimidine has a molecular weight of 177.03 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-6-ethylpyrimidine is sourced from PubChem (CID 11137668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).