2,4-dichloro-5-ethylpyrimidine

C6H6Cl2N2 — CID 10012458

IUPAC2,4-dichloro-5-ethylpyrimidine
SMILESCCc1cnc(Cl)nc1Cl
InChIInChI=1S/C6H6Cl2N2/c1-2-4-3-9-6(8)10-5(4)7/h3H,2H2,1H3
InChIKeyYFYFVWTWMBQHOH-UHFFFAOYSA-N
MW177.03 g/mol
LogP2.35
Rot. Bonds1

About 2,4-dichloro-5-ethylpyrimidine

2,4-dichloro-5-ethylpyrimidine (PubChem CID 10012458) has the molecular formula C6H6Cl2N2 and a molecular weight of 177.03 g/mol. Its IUPAC name is 2,4-dichloro-5-ethylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-ethylpyrimidine
PubChem CID10012458
Molecular FormulaC6H6Cl2N2
Molecular Weight177.03 g/mol
Exact Mass175.99
IUPAC Name2,4-dichloro-5-ethylpyrimidine
SMILESCCc1cnc(Cl)nc1Cl
InChIInChI=1S/C6H6Cl2N2/c1-2-4-3-9-6(8)10-5(4)7/h3H,2H2,1H3
InChIKeyYFYFVWTWMBQHOH-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-ethylpyrimidine?
The IUPAC name of 2,4-dichloro-5-ethylpyrimidine (CID 10012458) is 2,4-dichloro-5-ethylpyrimidine.
What is the SMILES notation for 2,4-dichloro-5-ethylpyrimidine?
The canonical SMILES for 2,4-dichloro-5-ethylpyrimidine is CCc1cnc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-ethylpyrimidine?
The InChIKey is YFYFVWTWMBQHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2/c1-2-4-3-9-6(8)10-5(4)7/h3H,2H2,1H3.
What are the key properties of 2,4-dichloro-5-ethylpyrimidine?
2,4-dichloro-5-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 2,4-dichloro-5-ethylpyrimidine is sourced from PubChem (CID 10012458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).