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

C17H9BrCl2N4S — CID 54047986

IUPAC5-(3-bromophenyl)-7-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3cc(Cl)sc3Cl)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C17H9BrCl2N4S/c18-9-3-1-2-8(4-9)10-5-12(11-6-13(19)25-15(11)20)24-17-14(10)16(21)22-7-23-17/h1-7H,(H2,21,22,23,24)
InChIKeyLQWWZCPFTQXQOG-UHFFFAOYSA-N
MW452.16 g/mol
LogP6.07
Rot. Bonds2

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

5-(3-bromophenyl)-7-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 54047986) has the molecular formula C17H9BrCl2N4S and a molecular weight of 452.16 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID54047986
Molecular FormulaC17H9BrCl2N4S
Molecular Weight452.16 g/mol
Exact Mass449.91
IUPAC Name5-(3-bromophenyl)-7-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3cc(Cl)sc3Cl)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C17H9BrCl2N4S/c18-9-3-1-2-8(4-9)10-5-12(11-6-13(19)25-15(11)20)24-17-14(10)16(21)22-7-23-17/h1-7H,(H2,21,22,23,24)
InChIKeyLQWWZCPFTQXQOG-UHFFFAOYSA-N
XLogP6.07
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.16
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine (CID 54047986) is 5-(3-bromophenyl)-7-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3cc(Cl)sc3Cl)cc(-c3cccc(Br)c3)c12.
What is the InChIKey of 5-(3-bromophenyl)-7-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is LQWWZCPFTQXQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrCl2N4S/c18-9-3-1-2-8(4-9)10-5-12(11-6-13(19)25-15(11)20)24-17-14(10)16(21)22-7-23-17/h1-7H,(H2,21,22,23,24).
What are the key properties of 5-(3-bromophenyl)-7-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 452.16 g/mol, XLogP of 6.07, 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-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54047986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).