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

C27H28Cl2N4 — CID 25095792

IUPAC2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C27H28Cl2N4/c1-6-33(7-2)25-21-16-20(17-12-14-18(28)15-13-17)23(19-10-8-9-11-22(19)29)30-24(21)31-26(32-25)27(3,4)5/h8-16H,6-7H2,1-5H3
InChIKeyYCFZFWXDBBGAGB-UHFFFAOYSA-N
MW479.46 g/mol
LogP7.81
Rot. Bonds5

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

2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 25095792) has the molecular formula C27H28Cl2N4 and a molecular weight of 479.46 g/mol. Its IUPAC name is 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID25095792
Molecular FormulaC27H28Cl2N4
Molecular Weight479.46 g/mol
Exact Mass478.17
IUPAC Name2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C27H28Cl2N4/c1-6-33(7-2)25-21-16-20(17-12-14-18(28)15-13-17)23(19-10-8-9-11-22(19)29)30-24(21)31-26(32-25)27(3,4)5/h8-16H,6-7H2,1-5H3
InChIKeyYCFZFWXDBBGAGB-UHFFFAOYSA-N
XLogP7.81
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.46
LogP ≤ 57.81
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-diethylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethylpyrido[2,3-d]pyrimidin-4-amine (CID 25095792) is 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethylpyrido[2,3-d]pyrimidin-4-amine is CCN(CC)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-diethylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is YCFZFWXDBBGAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N4/c1-6-33(7-2)25-21-16-20(17-12-14-18(28)15-13-17)23(19-10-8-9-11-22(19)29)30-24(21)31-26(32-25)27(3,4)5/h8-16H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethylpyrido[2,3-d]pyrimidin-4-amine?
2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 479.46 g/mol, XLogP of 7.81, 5 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-diethylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25095792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).