2-tert-butyl-4,6-dichloro-5-methylpyrimidine

C9H12Cl2N2 — CID 824660

IUPAC2-tert-butyl-4,6-dichloro-5-methylpyrimidine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-5-6(10)12-8(9(2,3)4)13-7(5)11/h1-4H3
InChIKeyDACAJEXZIFEQLJ-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.39
Rot. Bonds

About 2-tert-butyl-4,6-dichloro-5-methylpyrimidine

2-tert-butyl-4,6-dichloro-5-methylpyrimidine (PubChem CID 824660) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.11 g/mol. Its IUPAC name is 2-tert-butyl-4,6-dichloro-5-methylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4,6-dichloro-5-methylpyrimidine
PubChem CID824660
Molecular FormulaC9H12Cl2N2
Molecular Weight219.11 g/mol
Exact Mass218.04
IUPAC Name2-tert-butyl-4,6-dichloro-5-methylpyrimidine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-5-6(10)12-8(9(2,3)4)13-7(5)11/h1-4H3
InChIKeyDACAJEXZIFEQLJ-UHFFFAOYSA-N
XLogP3.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,6-dichloro-5-methylpyrimidine?
The IUPAC name of 2-tert-butyl-4,6-dichloro-5-methylpyrimidine (CID 824660) is 2-tert-butyl-4,6-dichloro-5-methylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4,6-dichloro-5-methylpyrimidine?
The canonical SMILES for 2-tert-butyl-4,6-dichloro-5-methylpyrimidine is Cc1c(Cl)nc(C(C)(C)C)nc1Cl.
What is the InChIKey of 2-tert-butyl-4,6-dichloro-5-methylpyrimidine?
The InChIKey is DACAJEXZIFEQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-5-6(10)12-8(9(2,3)4)13-7(5)11/h1-4H3.
What are the key properties of 2-tert-butyl-4,6-dichloro-5-methylpyrimidine?
2-tert-butyl-4,6-dichloro-5-methylpyrimidine has a molecular weight of 219.11 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,6-dichloro-5-methylpyrimidine is sourced from PubChem (CID 824660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).