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

C24H22BrN5O2 — CID 54150091

IUPAC5-(3-bromo-5-methoxyphenyl)-7-(2-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(Br)cc(-c2cc(-c3ccccc3N3CCOCC3)nc3ncnc(N)c23)c1
InChIInChI=1S/C24H22BrN5O2/c1-31-17-11-15(10-16(25)12-17)19-13-20(29-24-22(19)23(26)27-14-28-24)18-4-2-3-5-21(18)30-6-8-32-9-7-30/h2-5,10-14H,6-9H2,1H3,(H2,26,27,28,29)
InChIKeyOHDAGDFEJLILPT-UHFFFAOYSA-N
MW492.38 g/mol
LogP4.55
Rot. Bonds4

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

5-(3-bromo-5-methoxyphenyl)-7-(2-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 54150091) has the molecular formula C24H22BrN5O2 and a molecular weight of 492.38 g/mol. Its IUPAC name is 5-(3-bromo-5-methoxyphenyl)-7-(2-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromo-5-methoxyphenyl)-7-(2-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID54150091
Molecular FormulaC24H22BrN5O2
Molecular Weight492.38 g/mol
Exact Mass491.10
IUPAC Name5-(3-bromo-5-methoxyphenyl)-7-(2-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(Br)cc(-c2cc(-c3ccccc3N3CCOCC3)nc3ncnc(N)c23)c1
InChIInChI=1S/C24H22BrN5O2/c1-31-17-11-15(10-16(25)12-17)19-13-20(29-24-22(19)23(26)27-14-28-24)18-4-2-3-5-21(18)30-6-8-32-9-7-30/h2-5,10-14H,6-9H2,1H3,(H2,26,27,28,29)
InChIKeyOHDAGDFEJLILPT-UHFFFAOYSA-N
XLogP4.55
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-methoxyphenyl)-7-(2-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromo-5-methoxyphenyl)-7-(2-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 54150091) is 5-(3-bromo-5-methoxyphenyl)-7-(2-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromo-5-methoxyphenyl)-7-(2-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromo-5-methoxyphenyl)-7-(2-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine is COc1cc(Br)cc(-c2cc(-c3ccccc3N3CCOCC3)nc3ncnc(N)c23)c1.
What is the InChIKey of 5-(3-bromo-5-methoxyphenyl)-7-(2-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is OHDAGDFEJLILPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN5O2/c1-31-17-11-15(10-16(25)12-17)19-13-20(29-24-22(19)23(26)27-14-28-24)18-4-2-3-5-21(18)30-6-8-32-9-7-30/h2-5,10-14H,6-9H2,1H3,(H2,26,27,28,29).
What are the key properties of 5-(3-bromo-5-methoxyphenyl)-7-(2-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromo-5-methoxyphenyl)-7-(2-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 492.38 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-methoxyphenyl)-7-(2-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54150091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).