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

C23H20Cl2N4 — CID 25097842

IUPAC2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1
InChIInChI=1S/C23H20Cl2N4/c1-23(2,3)22-28-20(26)17-12-16(13-8-10-14(24)11-9-13)19(27-21(17)29-22)15-6-4-5-7-18(15)25/h4-12H,1-3H3,(H2,26,27,28,29)
InChIKeyGMSTWIZAQXJBNA-UHFFFAOYSA-N
MW423.35 g/mol
LogP6.55
Rot. Bonds2

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

2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 25097842) has the molecular formula C23H20Cl2N4 and a molecular weight of 423.35 g/mol. Its IUPAC name is 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID25097842
Molecular FormulaC23H20Cl2N4
Molecular Weight423.35 g/mol
Exact Mass422.11
IUPAC Name2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1
InChIInChI=1S/C23H20Cl2N4/c1-23(2,3)22-28-20(26)17-12-16(13-8-10-14(24)11-9-13)19(27-21(17)29-22)15-6-4-5-7-18(15)25/h4-12H,1-3H3,(H2,26,27,28,29)
InChIKeyGMSTWIZAQXJBNA-UHFFFAOYSA-N
XLogP6.55
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.35
LogP ≤ 56.55
H-Bond Donors ≤ 51
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)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 25097842) is 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine is CC(C)(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1.
What is the InChIKey of 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is GMSTWIZAQXJBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4/c1-23(2,3)22-28-20(26)17-12-16(13-8-10-14(24)11-9-13)19(27-21(17)29-22)15-6-4-5-7-18(15)25/h4-12H,1-3H3,(H2,26,27,28,29).
What are the key properties of 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine?
2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 423.35 g/mol, XLogP of 6.55, 2 rotatable bonds, 1 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)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25097842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).