4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H14BrN5O — CID 115503777

IUPAC4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ccccc2Br)nc(N2CCOCC2)n1
InChIInChI=1S/C13H14BrN5O/c14-10-4-2-1-3-9(10)11-16-12(15)18-13(17-11)19-5-7-20-8-6-19/h1-4H,5-8H2,(H2,15,16,17,18)
InChIKeySZWRPQDBQAEGAS-UHFFFAOYSA-N
MW336.19 g/mol
LogP1.72
Rot. Bonds2

About 4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 115503777) has the molecular formula C13H14BrN5O and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID115503777
Molecular FormulaC13H14BrN5O
Molecular Weight336.19 g/mol
Exact Mass335.04
IUPAC Name4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ccccc2Br)nc(N2CCOCC2)n1
InChIInChI=1S/C13H14BrN5O/c14-10-4-2-1-3-9(10)11-16-12(15)18-13(17-11)19-5-7-20-8-6-19/h1-4H,5-8H2,(H2,15,16,17,18)
InChIKeySZWRPQDBQAEGAS-UHFFFAOYSA-N
XLogP1.72
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 62900378
4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 115505122
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
4-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 27396187
4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63868604
4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872274
4-(5-methyl-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 115375453
4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1258305
4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine
CID 63868723
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 46202652

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 115503777) is 4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is Nc1nc(-c2ccccc2Br)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is SZWRPQDBQAEGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O/c14-10-4-2-1-3-9(10)11-16-12(15)18-13(17-11)19-5-7-20-8-6-19/h1-4H,5-8H2,(H2,15,16,17,18).
What are the key properties of 4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 336.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 115503777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).