5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine

C23H19Br2N5O — CID 70285500

IUPAC5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(C4CNCCO4)cc3)cc(-c3cc(Br)cc(Br)c3)c12
InChIInChI=1S/C23H19Br2N5O/c24-16-7-15(8-17(25)9-16)18-10-19(30-23-21(18)22(26)28-12-29-23)13-1-3-14(4-2-13)20-11-27-5-6-31-20/h1-4,7-10,12,20,27H,5-6,11H2,(H2,26,28,29,30)
InChIKeyNSFBKWUVKFKJAY-UHFFFAOYSA-N
MW541.25 g/mol
LogP5.13
Rot. Bonds3

About 5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine

5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 70285500) has the molecular formula C23H19Br2N5O and a molecular weight of 541.25 g/mol. Its IUPAC name is 5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID70285500
Molecular FormulaC23H19Br2N5O
Molecular Weight541.25 g/mol
Exact Mass539.00
IUPAC Name5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(C4CNCCO4)cc3)cc(-c3cc(Br)cc(Br)c3)c12
InChIInChI=1S/C23H19Br2N5O/c24-16-7-15(8-17(25)9-16)18-10-19(30-23-21(18)22(26)28-12-29-23)13-1-3-14(4-2-13)20-11-27-5-6-31-20/h1-4,7-10,12,20,27H,5-6,11H2,(H2,26,28,29,30)
InChIKeyNSFBKWUVKFKJAY-UHFFFAOYSA-N
XLogP5.13
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.25
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 70285500) is 5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(C4CNCCO4)cc3)cc(-c3cc(Br)cc(Br)c3)c12.
What is the InChIKey of 5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is NSFBKWUVKFKJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Br2N5O/c24-16-7-15(8-17(25)9-16)18-10-19(30-23-21(18)22(26)28-12-29-23)13-1-3-14(4-2-13)20-11-27-5-6-31-20/h1-4,7-10,12,20,27H,5-6,11H2,(H2,26,28,29,30).
What are the key properties of 5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 541.25 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dibromophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 70285500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).