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

C25H24Cl2N4 — CID 25095276

IUPAC2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-dimethylpyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H24Cl2N4/c1-25(2,3)24-29-22-19(23(30-24)31(4)5)14-18(15-10-12-16(26)13-11-15)21(28-22)17-8-6-7-9-20(17)27/h6-14H,1-5H3
InChIKeyGOWJGXSXULZEEW-UHFFFAOYSA-N
MW451.40 g/mol
LogP7.03
Rot. Bonds3

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

2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-dimethylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 25095276) has the molecular formula C25H24Cl2N4 and a molecular weight of 451.40 g/mol. Its IUPAC name is 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-dimethylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-dimethylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID25095276
Molecular FormulaC25H24Cl2N4
Molecular Weight451.40 g/mol
Exact Mass450.14
IUPAC Name2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-dimethylpyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H24Cl2N4/c1-25(2,3)24-29-22-19(23(30-24)31(4)5)14-18(15-10-12-16(26)13-11-15)21(28-22)17-8-6-7-9-20(17)27/h6-14H,1-5H3
InChIKeyGOWJGXSXULZEEW-UHFFFAOYSA-N
XLogP7.03
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.40
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-dimethylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-dimethylpyrido[2,3-d]pyrimidin-4-amine (CID 25095276) is 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-dimethylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-dimethylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-dimethylpyrido[2,3-d]pyrimidin-4-amine is CN(C)c1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-dimethylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is GOWJGXSXULZEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4/c1-25(2,3)24-29-22-19(23(30-24)31(4)5)14-18(15-10-12-16(26)13-11-15)21(28-22)17-8-6-7-9-20(17)27/h6-14H,1-5H3.
What are the key properties of 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-dimethylpyrido[2,3-d]pyrimidin-4-amine?
2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-dimethylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 451.40 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-dimethylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25095276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).