N,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine

C27H28Cl2N4 — CID 25095795

IUPACN,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)Nc1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C27H28Cl2N4/c1-26(2,3)25-31-23-20(24(32-25)33-27(4,5)6)15-19(16-11-13-17(28)14-12-16)22(30-23)18-9-7-8-10-21(18)29/h7-15H,1-6H3,(H,30,31,32,33)
InChIKeyFLTKRJYBXQQZTD-UHFFFAOYSA-N
MW479.46 g/mol
LogP8.17
Rot. Bonds3

About N,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine

N,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 25095795) has the molecular formula C27H28Cl2N4 and a molecular weight of 479.46 g/mol. Its IUPAC name is N,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID25095795
Molecular FormulaC27H28Cl2N4
Molecular Weight479.46 g/mol
Exact Mass478.17
IUPAC NameN,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)Nc1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C27H28Cl2N4/c1-26(2,3)25-31-23-20(24(32-25)33-27(4,5)6)15-19(16-11-13-17(28)14-12-16)22(30-23)18-9-7-8-10-21(18)29/h7-15H,1-6H3,(H,30,31,32,33)
InChIKeyFLTKRJYBXQQZTD-UHFFFAOYSA-N
XLogP8.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.46
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-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 N,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 25095795) is N,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine is CC(C)(C)Nc1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of N,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is FLTKRJYBXQQZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N4/c1-26(2,3)25-31-23-20(24(32-25)33-27(4,5)6)15-19(16-11-13-17(28)14-12-16)22(30-23)18-9-7-8-10-21(18)29/h7-15H,1-6H3,(H,30,31,32,33).
What are the key properties of N,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine?
N,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 479.46 g/mol, XLogP of 8.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-ditert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25095795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).