4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine

C8H10Cl2N2 — CID 80663980

IUPAC4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(C(C)Cl)n1
InChIInChI=1S/C8H10Cl2N2/c1-3-6-4-7(10)12-8(11-6)5(2)9/h4-5H,3H2,1-2H3
InChIKeyUVFPSUAHJGSWOP-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.99
Rot. Bonds2

About 4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine

4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine (PubChem CID 80663980) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine
PubChem CID80663980
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(C(C)Cl)n1
InChIInChI=1S/C8H10Cl2N2/c1-3-6-4-7(10)12-8(11-6)5(2)9/h4-5H,3H2,1-2H3
InChIKeyUVFPSUAHJGSWOP-UHFFFAOYSA-N
XLogP2.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine?
The IUPAC name of 4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine (CID 80663980) is 4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine is CCc1cc(Cl)nc(C(C)Cl)n1.
What is the InChIKey of 4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine?
The InChIKey is UVFPSUAHJGSWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-3-6-4-7(10)12-8(11-6)5(2)9/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine?
4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine has a molecular weight of 205.09 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine is sourced from PubChem (CID 80663980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).