2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate

C19H16BrN5O2 — CID 139151467

IUPAC2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate
SMILESBrc1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc1.O.O
InChIInChI=1S/C19H12BrN5.2H2O/c20-14-9-7-13(8-10-14)17-23-18(15-5-1-3-11-21-15)25-19(24-17)16-6-2-4-12-22-16;;/h1-12H;2*1H2
InChIKeyJBTURXAGHKXGBS-UHFFFAOYSA-N
MW426.27 g/mol
LogP2.78
Rot. Bonds3

About 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate

2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate (PubChem CID 139151467) has the molecular formula C19H16BrN5O2 and a molecular weight of 426.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate
PubChem CID139151467
Molecular FormulaC19H16BrN5O2
Molecular Weight426.27 g/mol
Exact Mass425.05
IUPAC Name2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate
SMILESBrc1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc1.O.O
InChIInChI=1S/C19H12BrN5.2H2O/c20-14-9-7-13(8-10-14)17-23-18(15-5-1-3-11-21-15)25-19(24-17)16-6-2-4-12-22-16;;/h1-12H;2*1H2
InChIKeyJBTURXAGHKXGBS-UHFFFAOYSA-N
XLogP2.78
TPSA127.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

AS1535907
CID 10200069
6-(5-bromo-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-2-phenylpyrimidin-4-amine
CID 4107603
(Z)-1-(4-bromophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-methyloxime
CID 11774041
(E)-1-(4-bromophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-methyloxime
CID 11849777
2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23650197
2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 57393997
7-Bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine
CID 2544769
N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 3507208
N-Methyl-N-(phenylmethyl)-2,6-di-2-pyridinyl-4-pyrimidinamine
CID 3515364
2-(4-Bromophenyl)-1,3-dipyridin-2-ylbenzimidazol-3-ium iodide
CID 16196369
4-(4-Phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 155555155
N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033332

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate?
The IUPAC name of 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate (CID 139151467) is 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate.
What is the SMILES notation for 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate?
The canonical SMILES for 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate is Brc1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc1.O.O.
What is the InChIKey of 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate?
The InChIKey is JBTURXAGHKXGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN5.2H2O/c20-14-9-7-13(8-10-14)17-23-18(15-5-1-3-11-21-15)25-19(24-17)16-6-2-4-12-22-16;;/h1-12H;2*1H2.
What are the key properties of 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate?
2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate has a molecular weight of 426.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;dihydrate is sourced from PubChem (CID 139151467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).