4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine

C15H15Cl3N2 — CID 79437867

IUPAC4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine
SMILESCC(C)CCc1nc(Cl)c(-c2ccc(Cl)cc2)c(Cl)n1
InChIInChI=1S/C15H15Cl3N2/c1-9(2)3-8-12-19-14(17)13(15(18)20-12)10-4-6-11(16)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyCNZSDGIAZKQGMK-UHFFFAOYSA-N
MW329.66 g/mol
LogP5.69
Rot. Bonds4

About 4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine

4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine (PubChem CID 79437867) has the molecular formula C15H15Cl3N2 and a molecular weight of 329.66 g/mol. Its IUPAC name is 4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine
PubChem CID79437867
Molecular FormulaC15H15Cl3N2
Molecular Weight329.66 g/mol
Exact Mass328.03
IUPAC Name4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine
SMILESCC(C)CCc1nc(Cl)c(-c2ccc(Cl)cc2)c(Cl)n1
InChIInChI=1S/C15H15Cl3N2/c1-9(2)3-8-12-19-14(17)13(15(18)20-12)10-4-6-11(16)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyCNZSDGIAZKQGMK-UHFFFAOYSA-N
XLogP5.69
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 ≤ 55.69
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-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine (CID 79437867) is 4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine is CC(C)CCc1nc(Cl)c(-c2ccc(Cl)cc2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine?
The InChIKey is CNZSDGIAZKQGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N2/c1-9(2)3-8-12-19-14(17)13(15(18)20-12)10-4-6-11(16)7-5-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine?
4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine has a molecular weight of 329.66 g/mol, XLogP of 5.69, 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-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine is sourced from PubChem (CID 79437867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).