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

C19H12BrFN4 — CID 54389329

IUPAC5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(F)cc3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C19H12BrFN4/c20-13-3-1-2-12(8-13)15-9-16(11-4-6-14(21)7-5-11)25-19-17(15)18(22)23-10-24-19/h1-10H,(H2,22,23,24,25)
InChIKeyVFMULWJHACQGGQ-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.84
Rot. Bonds2

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

5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 54389329) has the molecular formula C19H12BrFN4 and a molecular weight of 395.24 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID54389329
Molecular FormulaC19H12BrFN4
Molecular Weight395.24 g/mol
Exact Mass394.02
IUPAC Name5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(F)cc3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C19H12BrFN4/c20-13-3-1-2-12(8-13)15-9-16(11-4-6-14(21)7-5-11)25-19-17(15)18(22)23-10-24-19/h1-10H,(H2,22,23,24,25)
InChIKeyVFMULWJHACQGGQ-UHFFFAOYSA-N
XLogP4.84
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 54389329) is 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(F)cc3)cc(-c3cccc(Br)c3)c12.
What is the InChIKey of 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is VFMULWJHACQGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFN4/c20-13-3-1-2-12(8-13)15-9-16(11-4-6-14(21)7-5-11)25-19-17(15)18(22)23-10-24-19/h1-10H,(H2,22,23,24,25).
What are the key properties of 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 395.24 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54389329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).