4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline

C21H16BrClN4 — CID 150028295

IUPAC4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3Br)nc3ncnc(Cl)c23)cc1
InChIInChI=1S/C21H16BrClN4/c1-27(2)14-9-7-13(8-10-14)16-11-18(15-5-3-4-6-17(15)22)26-21-19(16)20(23)24-12-25-21/h3-12H,1-2H3
InChIKeyDGSCKUSXARRLLY-UHFFFAOYSA-N
MW439.74 g/mol
LogP5.84
Rot. Bonds3

About 4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline

4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline (PubChem CID 150028295) has the molecular formula C21H16BrClN4 and a molecular weight of 439.74 g/mol. Its IUPAC name is 4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline
PubChem CID150028295
Molecular FormulaC21H16BrClN4
Molecular Weight439.74 g/mol
Exact Mass438.02
IUPAC Name4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3Br)nc3ncnc(Cl)c23)cc1
InChIInChI=1S/C21H16BrClN4/c1-27(2)14-9-7-13(8-10-14)16-11-18(15-5-3-4-6-17(15)22)26-21-19(16)20(23)24-12-25-21/h3-12H,1-2H3
InChIKeyDGSCKUSXARRLLY-UHFFFAOYSA-N
XLogP5.84
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.74
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride
CID 70287307
2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine
CID 14551217
4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 8963860
4-(2-bromophenyl)-6-chloro-5-methylpyrimidine
CID 115503636
7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 54218684
4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine
CID 87840159
1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine
CID 79439579
5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine
CID 57320679
5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 171366922
5-(3-bromophenyl)-7-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 54384444
2-bromo-4-(2-bromophenyl)-6-methylpyrimidine
CID 116897341
4-[2-(chloromethyl)phenyl]-N,N-dimethylaniline
CID 43840308

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline (CID 150028295) is 4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cc(-c3ccccc3Br)nc3ncnc(Cl)c23)cc1.
What is the InChIKey of 4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline?
The InChIKey is DGSCKUSXARRLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrClN4/c1-27(2)14-9-7-13(8-10-14)16-11-18(15-5-3-4-6-17(15)22)26-21-19(16)20(23)24-12-25-21/h3-12H,1-2H3.
What are the key properties of 4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline?
4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline has a molecular weight of 439.74 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 150028295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).