4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine

C13H11Cl3N2 — CID 63611300

IUPAC4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine
SMILESCCc1c(Cl)nc(Cc2cccc(Cl)c2)nc1Cl
InChIInChI=1S/C13H11Cl3N2/c1-2-10-12(15)17-11(18-13(10)16)7-8-4-3-5-9(14)6-8/h3-6H,2,7H2,1H3
InChIKeyVYUZISQARXMAJH-UHFFFAOYSA-N
MW301.60 g/mol
LogP4.59
Rot. Bonds3

About 4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine

4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine (PubChem CID 63611300) has the molecular formula C13H11Cl3N2 and a molecular weight of 301.60 g/mol. Its IUPAC name is 4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine
PubChem CID63611300
Molecular FormulaC13H11Cl3N2
Molecular Weight301.60 g/mol
Exact Mass300.00
IUPAC Name4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine
SMILESCCc1c(Cl)nc(Cc2cccc(Cl)c2)nc1Cl
InChIInChI=1S/C13H11Cl3N2/c1-2-10-12(15)17-11(18-13(10)16)7-8-4-3-5-9(14)6-8/h3-6H,2,7H2,1H3
InChIKeyVYUZISQARXMAJH-UHFFFAOYSA-N
XLogP4.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.60
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine (CID 63611300) is 4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine is CCc1c(Cl)nc(Cc2cccc(Cl)c2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine?
The InChIKey is VYUZISQARXMAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2/c1-2-10-12(15)17-11(18-13(10)16)7-8-4-3-5-9(14)6-8/h3-6H,2,7H2,1H3.
What are the key properties of 4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine?
4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine has a molecular weight of 301.60 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine is sourced from PubChem (CID 63611300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).