2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine

C15H17Cl2N3 — CID 80974542

IUPAC2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C15H17Cl2N3/c1-9-12(17)19-14(15(2,3)4)20-13(9)18-11-7-5-10(16)6-8-11/h5-8H,1-4H3,(H,18,19,20)
InChIKeyKNJMGTHOSKARTN-UHFFFAOYSA-N
MW310.23 g/mol
LogP5.13
Rot. Bonds2

About 2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine

2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine (PubChem CID 80974542) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine
PubChem CID80974542
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C15H17Cl2N3/c1-9-12(17)19-14(15(2,3)4)20-13(9)18-11-7-5-10(16)6-8-11/h5-8H,1-4H3,(H,18,19,20)
InChIKeyKNJMGTHOSKARTN-UHFFFAOYSA-N
XLogP5.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.23
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine (CID 80974542) is 2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)(C)C)nc1Nc1ccc(Cl)cc1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine?
The InChIKey is KNJMGTHOSKARTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-9-12(17)19-14(15(2,3)4)20-13(9)18-11-7-5-10(16)6-8-11/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine has a molecular weight of 310.23 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80974542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).