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

C26H26Cl2N4 — CID 25095275

IUPAC2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)Nc1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H26Cl2N4/c1-15(2)29-23-20-14-19(16-10-12-17(27)13-11-16)22(18-8-6-7-9-21(18)28)30-24(20)32-25(31-23)26(3,4)5/h6-15H,1-5H3,(H,29,30,31,32)
InChIKeyZNGMGMSYGRQIGJ-UHFFFAOYSA-N
MW465.43 g/mol
LogP7.78
Rot. Bonds4

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

2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 25095275) has the molecular formula C26H26Cl2N4 and a molecular weight of 465.43 g/mol. Its IUPAC name is 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID25095275
Molecular FormulaC26H26Cl2N4
Molecular Weight465.43 g/mol
Exact Mass464.15
IUPAC Name2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)Nc1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H26Cl2N4/c1-15(2)29-23-20-14-19(16-10-12-17(27)13-11-16)22(18-8-6-7-9-21(18)28)30-24(20)32-25(31-23)26(3,4)5/h6-15H,1-5H3,(H,29,30,31,32)
InChIKeyZNGMGMSYGRQIGJ-UHFFFAOYSA-N
XLogP7.78
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.43
LogP ≤ 57.78
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)-N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine (CID 25095275) is 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine is CC(C)Nc1nc(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-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is ZNGMGMSYGRQIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4/c1-15(2)29-23-20-14-19(16-10-12-17(27)13-11-16)22(18-8-6-7-9-21(18)28)30-24(20)32-25(31-23)26(3,4)5/h6-15H,1-5H3,(H,29,30,31,32).
What are the key properties of 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 465.43 g/mol, XLogP of 7.78, 4 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)-N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25095275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).