2-tert-butyl-4,6-dichloropyrimidine

C8H10Cl2N2 — CID 24903688

IUPAC2-tert-butyl-4,6-dichloropyrimidine
SMILESCC(C)(C)c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C8H10Cl2N2/c1-8(2,3)7-11-5(9)4-6(10)12-7/h4H,1-3H3
InChIKeyINTDGBJUITUUCN-UHFFFAOYSA-N
MW205.09 g/mol
LogP3.08
Rot. Bonds

About 2-tert-butyl-4,6-dichloropyrimidine

2-tert-butyl-4,6-dichloropyrimidine (PubChem CID 24903688) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 2-tert-butyl-4,6-dichloropyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4,6-dichloropyrimidine
PubChem CID24903688
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name2-tert-butyl-4,6-dichloropyrimidine
SMILESCC(C)(C)c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C8H10Cl2N2/c1-8(2,3)7-11-5(9)4-6(10)12-7/h4H,1-3H3
InChIKeyINTDGBJUITUUCN-UHFFFAOYSA-N
XLogP3.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 53.08
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-dichloropyrimidine?
The IUPAC name of 2-tert-butyl-4,6-dichloropyrimidine (CID 24903688) is 2-tert-butyl-4,6-dichloropyrimidine.
What is the SMILES notation for 2-tert-butyl-4,6-dichloropyrimidine?
The canonical SMILES for 2-tert-butyl-4,6-dichloropyrimidine is CC(C)(C)c1nc(Cl)cc(Cl)n1.
What is the InChIKey of 2-tert-butyl-4,6-dichloropyrimidine?
The InChIKey is INTDGBJUITUUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-8(2,3)7-11-5(9)4-6(10)12-7/h4H,1-3H3.
What are the key properties of 2-tert-butyl-4,6-dichloropyrimidine?
2-tert-butyl-4,6-dichloropyrimidine has a molecular weight of 205.09 g/mol, XLogP of 3.08, 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-dichloropyrimidine is sourced from PubChem (CID 24903688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).