5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine

C24H23BrN4O — CID 171366922

IUPAC5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1ncnc2nc(-c3ccccc3OC)cc(-c3ccc(Br)cc3)c12
InChIInChI=1S/C24H23BrN4O/c1-3-4-13-26-23-22-19(16-9-11-17(25)12-10-16)14-20(29-24(22)28-15-27-23)18-7-5-6-8-21(18)30-2/h5-12,14-15H,3-4,13H2,1-2H3,(H,26,27,28,29)
InChIKeyQBDFBULMSQSJCY-UHFFFAOYSA-N
MW463.38 g/mol
LogP6.34
Rot. Bonds7

About 5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine

5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 171366922) has the molecular formula C24H23BrN4O and a molecular weight of 463.38 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID171366922
Molecular FormulaC24H23BrN4O
Molecular Weight463.38 g/mol
Exact Mass462.11
IUPAC Name5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1ncnc2nc(-c3ccccc3OC)cc(-c3ccc(Br)cc3)c12
InChIInChI=1S/C24H23BrN4O/c1-3-4-13-26-23-22-19(16-9-11-17(25)12-10-16)14-20(29-24(22)28-15-27-23)18-7-5-6-8-21(18)30-2/h5-12,14-15H,3-4,13H2,1-2H3,(H,26,27,28,29)
InChIKeyQBDFBULMSQSJCY-UHFFFAOYSA-N
XLogP6.34
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine
CID 69178153
5-(4-ethoxy-3-methoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19256949
5-(3-bromo-4,5-dimethoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19256954
N-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 132515794
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19257018
5-(2-chlorophenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19256952
6-[[6-(2-methoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]hexanoic acid
CID 58016838
6-(2-methoxyphenyl)-3-(4-methylphenyl)-N-pentyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364772
3-(4-bromophenyl)-N-butyl-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364889
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
5-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19256895

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 171366922) is 5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is CCCCNc1ncnc2nc(-c3ccccc3OC)cc(-c3ccc(Br)cc3)c12.
What is the InChIKey of 5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is QBDFBULMSQSJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O/c1-3-4-13-26-23-22-19(16-9-11-17(25)12-10-16)14-20(29-24(22)28-15-27-23)18-7-5-6-8-21(18)30-2/h5-12,14-15H,3-4,13H2,1-2H3,(H,26,27,28,29).
What are the key properties of 5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 463.38 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 171366922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).