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

C19H12BrFN4 — CID 141306268

IUPAC5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-2-amine
SMILESNc1ncc2c(-c3cccc(Br)c3)cc(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C19H12BrFN4/c20-13-3-1-2-12(8-13)15-9-17(11-4-6-14(21)7-5-11)24-18-16(15)10-23-19(22)25-18/h1-10H,(H2,22,23,24,25)
InChIKeyANPMCCKALJWETB-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.84
Rot. Bonds2

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

5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 141306268) 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-2-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-2-amine
PubChem CID141306268
Molecular FormulaC19H12BrFN4
Molecular Weight395.24 g/mol
Exact Mass394.02
IUPAC Name5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-2-amine
SMILESNc1ncc2c(-c3cccc(Br)c3)cc(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C19H12BrFN4/c20-13-3-1-2-12(8-13)15-9-17(11-4-6-14(21)7-5-11)24-18-16(15)10-23-19(22)25-18/h1-10H,(H2,22,23,24,25)
InChIKeyANPMCCKALJWETB-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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Related Compounds

Abt-702
CID 1973
6-(2,6-Dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328120
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 5328249
N-(3-bromophenyl)-7-fluoropyrido[4,3-d]pyrimidin-4-amine
CID 5328251
N-(3-bromophenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 5328257
N-(3-bromophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
CID 5328260
N-(3-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 5328266

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-2-amine (CID 141306268) is 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-2-amine is Nc1ncc2c(-c3cccc(Br)c3)cc(-c3ccc(F)cc3)nc2n1.
What is the InChIKey of 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is ANPMCCKALJWETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFN4/c20-13-3-1-2-12(8-13)15-9-17(11-4-6-14(21)7-5-11)24-18-16(15)10-23-19(22)25-18/h1-10H,(H2,22,23,24,25).
What are the key properties of 5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-2-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-2-amine is sourced from PubChem (CID 141306268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).