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

C23H21BrN4O4 — CID 19256972

IUPAC5-(3-bromo-4,5-dimethoxyphenyl)-7-(2,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc(-c3cc(Br)c(OC)c(OC)c3)c3c(N)ncnc3n2)c(OC)c1
InChIInChI=1S/C23H21BrN4O4/c1-29-13-5-6-14(18(9-13)30-2)17-10-15(20-22(25)26-11-27-23(20)28-17)12-7-16(24)21(32-4)19(8-12)31-3/h5-11H,1-4H3,(H2,25,26,27,28)
InChIKeyZIJTWJCIEDXFBD-UHFFFAOYSA-N
MW497.35 g/mol
LogP4.74
Rot. Bonds6

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

5-(3-bromo-4,5-dimethoxyphenyl)-7-(2,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 19256972) has the molecular formula C23H21BrN4O4 and a molecular weight of 497.35 g/mol. Its IUPAC name is 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromo-4,5-dimethoxyphenyl)-7-(2,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID19256972
Molecular FormulaC23H21BrN4O4
Molecular Weight497.35 g/mol
Exact Mass496.07
IUPAC Name5-(3-bromo-4,5-dimethoxyphenyl)-7-(2,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc(-c3cc(Br)c(OC)c(OC)c3)c3c(N)ncnc3n2)c(OC)c1
InChIInChI=1S/C23H21BrN4O4/c1-29-13-5-6-14(18(9-13)30-2)17-10-15(20-22(25)26-11-27-23(20)28-17)12-7-16(24)21(32-4)19(8-12)31-3/h5-11H,1-4H3,(H2,25,26,27,28)
InChIKeyZIJTWJCIEDXFBD-UHFFFAOYSA-N
XLogP4.74
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.35
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 19256972) is 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is COc1ccc(-c2cc(-c3cc(Br)c(OC)c(OC)c3)c3c(N)ncnc3n2)c(OC)c1.
What is the InChIKey of 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is ZIJTWJCIEDXFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O4/c1-29-13-5-6-14(18(9-13)30-2)17-10-15(20-22(25)26-11-27-23(20)28-17)12-7-16(24)21(32-4)19(8-12)31-3/h5-11H,1-4H3,(H2,25,26,27,28).
What are the key properties of 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromo-4,5-dimethoxyphenyl)-7-(2,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 497.35 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 19256972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).