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

C22H19BrN4O3 — CID 19256954

IUPAC5-(3-bromo-4,5-dimethoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc(-c2cc(Br)c(OC)c(OC)c2)c2c(N)ncnc2n1
InChIInChI=1S/C22H19BrN4O3/c1-28-17-7-5-4-6-13(17)16-10-14(19-21(24)25-11-26-22(19)27-16)12-8-15(23)20(30-3)18(9-12)29-2/h4-11H,1-3H3,(H2,24,25,26,27)
InChIKeyOTCTYHRQRGSQOJ-UHFFFAOYSA-N
MW467.32 g/mol
LogP4.73
Rot. Bonds5

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

5-(3-bromo-4,5-dimethoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 19256954) has the molecular formula C22H19BrN4O3 and a molecular weight of 467.32 g/mol. Its IUPAC name is 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromo-4,5-dimethoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID19256954
Molecular FormulaC22H19BrN4O3
Molecular Weight467.32 g/mol
Exact Mass466.06
IUPAC Name5-(3-bromo-4,5-dimethoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc(-c2cc(Br)c(OC)c(OC)c2)c2c(N)ncnc2n1
InChIInChI=1S/C22H19BrN4O3/c1-28-17-7-5-4-6-13(17)16-10-14(19-21(24)25-11-26-22(19)27-16)12-8-15(23)20(30-3)18(9-12)29-2/h4-11H,1-3H3,(H2,24,25,26,27)
InChIKeyOTCTYHRQRGSQOJ-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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Related Compounds

5-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19256895
5-(4-ethoxy-3-methoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19256949
5-(2-chlorophenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19256952
5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19257018
7-(2,5-dimethoxyphenyl)-5-(4-ethoxy-3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19257056
7-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19256900
7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19257016
5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 171366922
7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19257027
5-(3-bromophenyl)-7-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 54384444
5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 67258367
5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 54389329

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 19256954) is 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is COc1ccccc1-c1cc(-c2cc(Br)c(OC)c(OC)c2)c2c(N)ncnc2n1.
What is the InChIKey of 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is OTCTYHRQRGSQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O3/c1-28-17-7-5-4-6-13(17)16-10-14(19-21(24)25-11-26-22(19)27-16)12-8-15(23)20(30-3)18(9-12)29-2/h4-11H,1-3H3,(H2,24,25,26,27).
What are the key properties of 5-(3-bromo-4,5-dimethoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromo-4,5-dimethoxyphenyl)-7-(2-methoxyphenyl)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-bromo-4,5-dimethoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 19256954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).