4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine

C13H10Cl4N2 — CID 63612507

IUPAC4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(-c2ccc(Cl)cc2Cl)nc1Cl
InChIInChI=1S/C13H10Cl4N2/c1-6(2)10-11(16)18-13(19-12(10)17)8-4-3-7(14)5-9(8)15/h3-6H,1-2H3
InChIKeyIQDSVYIMOVVZKR-UHFFFAOYSA-N
MW336.05 g/mol
LogP5.88
Rot. Bonds2

About 4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine

4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine (PubChem CID 63612507) has the molecular formula C13H10Cl4N2 and a molecular weight of 336.05 g/mol. Its IUPAC name is 4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine
PubChem CID63612507
Molecular FormulaC13H10Cl4N2
Molecular Weight336.05 g/mol
Exact Mass333.96
IUPAC Name4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(-c2ccc(Cl)cc2Cl)nc1Cl
InChIInChI=1S/C13H10Cl4N2/c1-6(2)10-11(16)18-13(19-12(10)17)8-4-3-7(14)5-9(8)15/h3-6H,1-2H3
InChIKeyIQDSVYIMOVVZKR-UHFFFAOYSA-N
XLogP5.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.05
LogP ≤ 55.88
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-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine (CID 63612507) is 4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)nc(-c2ccc(Cl)cc2Cl)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine?
The InChIKey is IQDSVYIMOVVZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl4N2/c1-6(2)10-11(16)18-13(19-12(10)17)8-4-3-7(14)5-9(8)15/h3-6H,1-2H3.
What are the key properties of 4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine?
4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine has a molecular weight of 336.05 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 63612507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).