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

C23H19Cl3N4 — CID 25098114

IUPAC2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n1
InChIInChI=1S/C23H19Cl3N4/c1-23(2,3)22-29-20(27)17-11-16(12-4-6-13(24)7-5-12)19(28-21(17)30-22)15-9-8-14(25)10-18(15)26/h4-11H,1-3H3,(H2,27,28,29,30)
InChIKeyQVFUKBUINZLPLW-UHFFFAOYSA-N
MW457.79 g/mol
LogP7.20
Rot. Bonds2

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

2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 25098114) has the molecular formula C23H19Cl3N4 and a molecular weight of 457.79 g/mol. Its IUPAC name is 2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID25098114
Molecular FormulaC23H19Cl3N4
Molecular Weight457.79 g/mol
Exact Mass456.07
IUPAC Name2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n1
InChIInChI=1S/C23H19Cl3N4/c1-23(2,3)22-29-20(27)17-11-16(12-4-6-13(24)7-5-12)19(28-21(17)30-22)15-9-8-14(25)10-18(15)26/h4-11H,1-3H3,(H2,27,28,29,30)
InChIKeyQVFUKBUINZLPLW-UHFFFAOYSA-N
XLogP7.20
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.79
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 25098114) is 2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine is CC(C)(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n1.
What is the InChIKey of 2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is QVFUKBUINZLPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl3N4/c1-23(2,3)22-29-20(27)17-11-16(12-4-6-13(24)7-5-12)19(28-21(17)30-22)15-9-8-14(25)10-18(15)26/h4-11H,1-3H3,(H2,27,28,29,30).
What are the key properties of 2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine?
2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 457.79 g/mol, XLogP of 7.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25098114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).