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

C21H18BrN5 — CID 10319941

IUPAC5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cc1
InChIInChI=1S/C21H18BrN5/c1-27(2)16-8-6-13(7-9-16)18-11-17(14-4-3-5-15(22)10-14)19-20(23)24-12-25-21(19)26-18/h3-12H,1-2H3,(H2,23,24,25,26)
InChIKeyJBIQVVFBLQWGPR-UHFFFAOYSA-N
MW420.31 g/mol
LogP4.77
Rot. Bonds3

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

5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 10319941) has the molecular formula C21H18BrN5 and a molecular weight of 420.31 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID10319941
Molecular FormulaC21H18BrN5
Molecular Weight420.31 g/mol
Exact Mass419.07
IUPAC Name5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cc1
InChIInChI=1S/C21H18BrN5/c1-27(2)16-8-6-13(7-9-16)18-11-17(14-4-3-5-15(22)10-14)19-20(23)24-12-25-21(19)26-18/h3-12H,1-2H3,(H2,23,24,25,26)
InChIKeyJBIQVVFBLQWGPR-UHFFFAOYSA-N
XLogP4.77
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 10319941) is 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine is CN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cc1.
What is the InChIKey of 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is JBIQVVFBLQWGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN5/c1-27(2)16-8-6-13(7-9-16)18-11-17(14-4-3-5-15(22)10-14)19-20(23)24-12-25-21(19)26-18/h3-12H,1-2H3,(H2,23,24,25,26).
What are the key properties of 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 420.31 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10319941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).