4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C21H22ClN5 — CID 25257182

IUPAC4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(-c3cccc(Cl)c3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C21H22ClN5/c1-15-8-10-18(11-9-15)23-20-24-19(16-6-5-7-17(22)14-16)25-21(26-20)27-12-3-2-4-13-27/h5-11,14H,2-4,12-13H2,1H3,(H,23,24,25,26)
InChIKeyXULANXIVAFSXJB-UHFFFAOYSA-N
MW379.90 g/mol
LogP5.23
Rot. Bonds4

About 4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 25257182) has the molecular formula C21H22ClN5 and a molecular weight of 379.90 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID25257182
Molecular FormulaC21H22ClN5
Molecular Weight379.90 g/mol
Exact Mass379.16
IUPAC Name4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(-c3cccc(Cl)c3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C21H22ClN5/c1-15-8-10-18(11-9-15)23-20-24-19(16-6-5-7-17(22)14-16)25-21(26-20)27-12-3-2-4-13-27/h5-11,14H,2-4,12-13H2,1H3,(H,23,24,25,26)
InChIKeyXULANXIVAFSXJB-UHFFFAOYSA-N
XLogP5.23
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.90
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80736345
4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 171851124
4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine
CID 79441260
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 112923615
4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid
CID 74221229
2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584592
N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80911509
2-N-(4-chlorophenyl)-4-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584715
6-(azepan-1-yl)-2-N-(3,4-difluorophenyl)-4-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 171686387
4-N-(3-chlorophenyl)-6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112929721
3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 133282203
2-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80751542

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 25257182) is 4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is Cc1ccc(Nc2nc(-c3cccc(Cl)c3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is XULANXIVAFSXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5/c1-15-8-10-18(11-9-15)23-20-24-19(16-6-5-7-17(22)14-16)25-21(26-20)27-12-3-2-4-13-27/h5-11,14H,2-4,12-13H2,1H3,(H,23,24,25,26).
What are the key properties of 4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 379.90 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 25257182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).