4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine

C12H10Cl2N2 — CID 88856160

IUPAC4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine
SMILESCCc1cnc(-c2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C12H10Cl2N2/c1-2-8-7-15-12(16-11(8)14)9-3-5-10(13)6-4-9/h3-7H,2H2,1H3
InChIKeyYELSRXSXADTHSO-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.01
Rot. Bonds2

About 4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine

4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine (PubChem CID 88856160) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine
PubChem CID88856160
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine
SMILESCCc1cnc(-c2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C12H10Cl2N2/c1-2-8-7-15-12(16-11(8)14)9-3-5-10(13)6-4-9/h3-7H,2H2,1H3
InChIKeyYELSRXSXADTHSO-UHFFFAOYSA-N
XLogP4.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine (CID 88856160) is 4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine is CCc1cnc(-c2ccc(Cl)cc2)nc1Cl.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine?
The InChIKey is YELSRXSXADTHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c1-2-8-7-15-12(16-11(8)14)9-3-5-10(13)6-4-9/h3-7H,2H2,1H3.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine?
4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine has a molecular weight of 253.13 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine is sourced from PubChem (CID 88856160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).