5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride

C22H21BrClN5 — CID 70287307

IUPAC5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCNc1ncnc2nc(-c3ccc(N(C)C)cc3)cc(-c3cccc(Br)c3)c12.Cl
InChIInChI=1S/C22H20BrN5.ClH/c1-24-21-20-18(15-5-4-6-16(23)11-15)12-19(27-22(20)26-13-25-21)14-7-9-17(10-8-14)28(2)3;/h4-13H,1-3H3,(H,24,25,26,27);1H
InChIKeyFRRJQNCXCJWASJ-UHFFFAOYSA-N
MW470.80 g/mol
LogP5.65
Rot. Bonds4

About 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride

5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 70287307) has the molecular formula C22H21BrClN5 and a molecular weight of 470.80 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID70287307
Molecular FormulaC22H21BrClN5
Molecular Weight470.80 g/mol
Exact Mass469.07
IUPAC Name5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCNc1ncnc2nc(-c3ccc(N(C)C)cc3)cc(-c3cccc(Br)c3)c12.Cl
InChIInChI=1S/C22H20BrN5.ClH/c1-24-21-20-18(15-5-4-6-16(23)11-15)12-19(27-22(20)26-13-25-21)14-7-9-17(10-8-14)28(2)3;/h4-13H,1-3H3,(H,24,25,26,27);1H
InChIKeyFRRJQNCXCJWASJ-UHFFFAOYSA-N
XLogP5.65
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.80
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-bromophenyl)-7-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 54384444
5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 54389329
5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine
CID 57320679
7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 54218684
N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide
CID 57297049
5-(3-bromophenyl)-7-[4-(5-methyl-1H-imidazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;trihydrochloride
CID 67258820
4-[7-(2-bromophenyl)-4-chloropyrido[2,3-d]pyrimidin-5-yl]-N,N-dimethylaniline
CID 150028295
4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline
CID 54500947
5-(3-bromophenyl)-7-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 54047986
7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
CID 141306285
5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 67257582
6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(1-amino-2-methylpropan-2-yl)-1,3-benzoxazol-2-one
CID 70287283

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride (CID 70287307) is 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride is CNc1ncnc2nc(-c3ccc(N(C)C)cc3)cc(-c3cccc(Br)c3)c12.Cl.
What is the InChIKey of 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is FRRJQNCXCJWASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5.ClH/c1-24-21-20-18(15-5-4-6-16(23)11-15)12-19(27-22(20)26-13-25-21)14-7-9-17(10-8-14)28(2)3;/h4-13H,1-3H3,(H,24,25,26,27);1H.
What are the key properties of 5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
5-(3-bromophenyl)-7-[4-(dimethylamino)phenyl]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 470.80 g/mol, XLogP of 5.65, 4 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]-N-methylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 70287307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).