N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

C21H28BrN5 — CID 71189285

IUPACN-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESBrc1ccccc1CNc1nc(C2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C21H28BrN5/c22-18-12-6-5-11-17(18)15-23-20-24-19(16-9-3-1-4-10-16)25-21(26-20)27-13-7-2-8-14-27/h5-6,11-12,16H,1-4,7-10,13-15H2,(H,23,24,25,26)
InChIKeyYNYWCSQVCOPMMG-UHFFFAOYSA-N
MW430.39 g/mol
LogP5.28
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 71189285) has the molecular formula C21H28BrN5 and a molecular weight of 430.39 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID71189285
Molecular FormulaC21H28BrN5
Molecular Weight430.39 g/mol
Exact Mass429.15
IUPAC NameN-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESBrc1ccccc1CNc1nc(C2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C21H28BrN5/c22-18-12-6-5-11-17(18)15-23-20-24-19(16-9-3-1-4-10-16)25-21(26-20)27-13-7-2-8-14-27/h5-6,11-12,16H,1-4,7-10,13-15H2,(H,23,24,25,26)
InChIKeyYNYWCSQVCOPMMG-UHFFFAOYSA-N
XLogP5.28
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.39
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 71189285) is N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is Brc1ccccc1CNc1nc(C2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is YNYWCSQVCOPMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28BrN5/c22-18-12-6-5-11-17(18)15-23-20-24-19(16-9-3-1-4-10-16)25-21(26-20)27-13-7-2-8-14-27/h5-6,11-12,16H,1-4,7-10,13-15H2,(H,23,24,25,26).
What are the key properties of N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 430.39 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 71189285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).