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

C15H17Cl2N3 — CID 63480830

IUPAC6-tert-butyl-2-(2,6-dichlorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C15H17Cl2N3/c1-15(2,3)11-8-12(18-4)20-14(19-11)13-9(16)6-5-7-10(13)17/h5-8H,1-4H3,(H,18,19,20)
InChIKeyRKUMSODJOHLPHW-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.79
Rot. Bonds2

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

6-tert-butyl-2-(2,6-dichlorophenyl)-N-methylpyrimidin-4-amine (PubChem CID 63480830) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 6-tert-butyl-2-(2,6-dichlorophenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(2,6-dichlorophenyl)-N-methylpyrimidin-4-amine
PubChem CID63480830
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name6-tert-butyl-2-(2,6-dichlorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C15H17Cl2N3/c1-15(2,3)11-8-12(18-4)20-14(19-11)13-9(16)6-5-7-10(13)17/h5-8H,1-4H3,(H,18,19,20)
InChIKeyRKUMSODJOHLPHW-UHFFFAOYSA-N
XLogP4.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.79
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-methylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(2,6-dichlorophenyl)-N-methylpyrimidin-4-amine (CID 63480830) is 6-tert-butyl-2-(2,6-dichlorophenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(2,6-dichlorophenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(2,6-dichlorophenyl)-N-methylpyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 6-tert-butyl-2-(2,6-dichlorophenyl)-N-methylpyrimidin-4-amine?
The InChIKey is RKUMSODJOHLPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-15(2,3)11-8-12(18-4)20-14(19-11)13-9(16)6-5-7-10(13)17/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of 6-tert-butyl-2-(2,6-dichlorophenyl)-N-methylpyrimidin-4-amine?
6-tert-butyl-2-(2,6-dichlorophenyl)-N-methylpyrimidin-4-amine has a molecular weight of 310.23 g/mol, XLogP of 4.79, 2 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-methylpyrimidin-4-amine is sourced from PubChem (CID 63480830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).