2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

C14H17BrN6 — CID 80736600

IUPAC2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cccc(Br)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H17BrN6/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)21-7-2-1-3-8-21/h4-6,9H,1-3,7-8H2,(H3,16,17,18,19,20)
InChIKeyBWMWMUDJNCWAMR-UHFFFAOYSA-N
MW349.24 g/mol
LogP2.95
Rot. Bonds3

About 2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80736600) has the molecular formula C14H17BrN6 and a molecular weight of 349.24 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80736600
Molecular FormulaC14H17BrN6
Molecular Weight349.24 g/mol
Exact Mass348.07
IUPAC Name2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cccc(Br)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H17BrN6/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)21-7-2-1-3-8-21/h4-6,9H,1-3,7-8H2,(H3,16,17,18,19,20)
InChIKeyBWMWMUDJNCWAMR-UHFFFAOYSA-N
XLogP2.95
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910303
2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80834570
2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80736345
3-bromo-N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]benzamide
CID 58865237
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775149
2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 35024765
4-chloro-N-(3-iodophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870369
2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584592
4-N-(3-bromophenyl)-2-N-[1-(4-chlorophenyl)ethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 3589879
4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 107602258
1-[3-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
CID 35024747

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80736600) is 2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2cccc(Br)c2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is BWMWMUDJNCWAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN6/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)21-7-2-1-3-8-21/h4-6,9H,1-3,7-8H2,(H3,16,17,18,19,20).
What are the key properties of 2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 349.24 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80736600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).