4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C16H28N6 — CID 155539562

IUPAC4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(CCC3CCCCC3)n2)CC1
InChIInChI=1S/C16H28N6/c1-21-9-11-22(12-10-21)16-19-14(18-15(17)20-16)8-7-13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H2,17,18,19,20)
InChIKeyDNUJVQSFERJDLZ-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.72
Rot. Bonds4

About 4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 155539562) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID155539562
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC Name4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(CCC3CCCCC3)n2)CC1
InChIInChI=1S/C16H28N6/c1-21-9-11-22(12-10-21)16-19-14(18-15(17)20-16)8-7-13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H2,17,18,19,20)
InChIKeyDNUJVQSFERJDLZ-UHFFFAOYSA-N
XLogP1.72
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-amine (10)
CID 121238067
4-(Cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155540438
4-Butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155563489
1,3,5-Triazine-2,4-diamine, 6-cyclohexyl-N,N,N',N'-tetramethyl-
CID 3039315
4-(4-Methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine
CID 155568016
Triazine, 2-amino-4-isopropyl-6-piperidino-
CID 207477
4-(3-Cyclohexylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155543351
2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 17449838
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 47015454
4-Cyclohexyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 63868493
6-(2-azaspiro[4.5]decan-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 72126051
6-{[(3r,5s)-3,5-Dimethylpiperidin-1-Yl]methyl}-N,N-Dimethyl-1,3,5-Triazine-2,4-Diamine
CID 26008530

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 155539562) is 4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(CCC3CCCCC3)n2)CC1.
What is the InChIKey of 4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is DNUJVQSFERJDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6/c1-21-9-11-22(12-10-21)16-19-14(18-15(17)20-16)8-7-13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 304.44 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 155539562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).