4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine

C15H15Cl3N2 — CID 79439039

IUPAC4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine
SMILESCCC(CC)c1nc(Cl)c(-c2ccccc2Cl)c(Cl)n1
InChIInChI=1S/C15H15Cl3N2/c1-3-9(4-2)15-19-13(17)12(14(18)20-15)10-7-5-6-8-11(10)16/h5-9H,3-4H2,1-2H3
InChIKeyZXSDJVPUNLEIRU-UHFFFAOYSA-N
MW329.66 g/mol
LogP6.01
Rot. Bonds4

About 4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine

4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine (PubChem CID 79439039) has the molecular formula C15H15Cl3N2 and a molecular weight of 329.66 g/mol. Its IUPAC name is 4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine
PubChem CID79439039
Molecular FormulaC15H15Cl3N2
Molecular Weight329.66 g/mol
Exact Mass328.03
IUPAC Name4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine
SMILESCCC(CC)c1nc(Cl)c(-c2ccccc2Cl)c(Cl)n1
InChIInChI=1S/C15H15Cl3N2/c1-3-9(4-2)15-19-13(17)12(14(18)20-15)10-7-5-6-8-11(10)16/h5-9H,3-4H2,1-2H3
InChIKeyZXSDJVPUNLEIRU-UHFFFAOYSA-N
XLogP6.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.66
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine (CID 79439039) is 4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine is CCC(CC)c1nc(Cl)c(-c2ccccc2Cl)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine?
The InChIKey is ZXSDJVPUNLEIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N2/c1-3-9(4-2)15-19-13(17)12(14(18)20-15)10-7-5-6-8-11(10)16/h5-9H,3-4H2,1-2H3.
What are the key properties of 4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine?
4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine has a molecular weight of 329.66 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine is sourced from PubChem (CID 79439039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).