5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

C18H11BrClN5 — CID 54243000

IUPAC5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(Cl)nc3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C18H11BrClN5/c19-12-3-1-2-10(6-12)13-7-14(11-4-5-15(20)22-8-11)25-18-16(13)17(21)23-9-24-18/h1-9H,(H2,21,23,24,25)
InChIKeyQRHWYGRDTQJOTM-UHFFFAOYSA-N
MW412.68 g/mol
LogP4.75
Rot. Bonds2

About 5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 54243000) has the molecular formula C18H11BrClN5 and a molecular weight of 412.68 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID54243000
Molecular FormulaC18H11BrClN5
Molecular Weight412.68 g/mol
Exact Mass410.99
IUPAC Name5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(Cl)nc3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C18H11BrClN5/c19-12-3-1-2-10(6-12)13-7-14(11-4-5-15(20)22-8-11)25-18-16(13)17(21)23-9-24-18/h1-9H,(H2,21,23,24,25)
InChIKeyQRHWYGRDTQJOTM-UHFFFAOYSA-N
XLogP4.75
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.68
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (CID 54243000) is 5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(Cl)nc3)cc(-c3cccc(Br)c3)c12.
What is the InChIKey of 5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is QRHWYGRDTQJOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClN5/c19-12-3-1-2-10(6-12)13-7-14(11-4-5-15(20)22-8-11)25-18-16(13)17(21)23-9-24-18/h1-9H,(H2,21,23,24,25).
What are the key properties of 5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 412.68 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-7-(6-chloro-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54243000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).