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

C24H23BrN4O5 — CID 19256893

IUPAC5-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ncnc(N)c23)cc(Br)c1OC
InChIInChI=1S/C24H23BrN4O5/c1-30-17-7-12(6-15(25)21(17)33-4)14-10-16(29-24-20(14)23(26)27-11-28-24)13-8-18(31-2)22(34-5)19(9-13)32-3/h6-11H,1-5H3,(H2,26,27,28,29)
InChIKeyUZYAHYLQLRJKPL-UHFFFAOYSA-N
MW527.38 g/mol
LogP4.75
Rot. Bonds7

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

5-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 19256893) has the molecular formula C24H23BrN4O5 and a molecular weight of 527.38 g/mol. Its IUPAC name is 5-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID19256893
Molecular FormulaC24H23BrN4O5
Molecular Weight527.38 g/mol
Exact Mass526.09
IUPAC Name5-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ncnc(N)c23)cc(Br)c1OC
InChIInChI=1S/C24H23BrN4O5/c1-30-17-7-12(6-15(25)21(17)33-4)14-10-16(29-24-20(14)23(26)27-11-28-24)13-8-18(31-2)22(34-5)19(9-13)32-3/h6-11H,1-5H3,(H2,26,27,28,29)
InChIKeyUZYAHYLQLRJKPL-UHFFFAOYSA-N
XLogP4.75
TPSA110.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 19256893) is 5-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is COc1cc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ncnc(N)c23)cc(Br)c1OC.
What is the InChIKey of 5-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is UZYAHYLQLRJKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O5/c1-30-17-7-12(6-15(25)21(17)33-4)14-10-16(29-24-20(14)23(26)27-11-28-24)13-8-18(31-2)22(34-5)19(9-13)32-3/h6-11H,1-5H3,(H2,26,27,28,29).
What are the key properties of 5-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 527.38 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 19256893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).