6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine

C16H19Cl2N3 — CID 63479987

IUPAC6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H19Cl2N3/c1-5-19-13-9-12(16(2,3)4)20-15(21-13)14-10(17)7-6-8-11(14)18/h6-9H,5H2,1-4H3,(H,19,20,21)
InChIKeyLGGAEXLYZBATTQ-UHFFFAOYSA-N
MW324.26 g/mol
LogP5.18
Rot. Bonds3

About 6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine

6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine (PubChem CID 63479987) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine
PubChem CID63479987
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H19Cl2N3/c1-5-19-13-9-12(16(2,3)4)20-15(21-13)14-10(17)7-6-8-11(14)18/h6-9H,5H2,1-4H3,(H,19,20,21)
InChIKeyLGGAEXLYZBATTQ-UHFFFAOYSA-N
XLogP5.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.26
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine (CID 63479987) is 6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine is CCNc1cc(C(C)(C)C)nc(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is LGGAEXLYZBATTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-5-19-13-9-12(16(2,3)4)20-15(21-13)14-10(17)7-6-8-11(14)18/h6-9H,5H2,1-4H3,(H,19,20,21).
What are the key properties of 6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine?
6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 324.26 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 63479987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).