5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine

C22H19BrN4O3 — CID 54036366

IUPAC5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cc(OC)c1OC
InChIInChI=1S/C22H19BrN4O3/c1-28-17-8-13(9-18(29-2)20(17)30-3)16-10-15(12-5-4-6-14(23)7-12)19-21(24)25-11-26-22(19)27-16/h4-11H,1-3H3,(H2,24,25,26,27)
InChIKeyLJGBBJGNCOWXJT-UHFFFAOYSA-N
MW467.32 g/mol
LogP4.73
Rot. Bonds5

About 5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine

5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 54036366) has the molecular formula C22H19BrN4O3 and a molecular weight of 467.32 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID54036366
Molecular FormulaC22H19BrN4O3
Molecular Weight467.32 g/mol
Exact Mass466.06
IUPAC Name5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cc(OC)c1OC
InChIInChI=1S/C22H19BrN4O3/c1-28-17-8-13(9-18(29-2)20(17)30-3)16-10-15(12-5-4-6-14(23)7-12)19-21(24)25-11-26-22(19)27-16/h4-11H,1-3H3,(H2,24,25,26,27)
InChIKeyLJGBBJGNCOWXJT-UHFFFAOYSA-N
XLogP4.73
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.32
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 54036366) is 5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is COc1cc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cc(OC)c1OC.
What is the InChIKey of 5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is LJGBBJGNCOWXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O3/c1-28-17-8-13(9-18(29-2)20(17)30-3)16-10-15(12-5-4-6-14(23)7-12)19-21(24)25-11-26-22(19)27-16/h4-11H,1-3H3,(H2,24,25,26,27).
What are the key properties of 5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 467.32 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54036366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).