6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine

C22H26ClN7 — CID 66507575

IUPAC6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN2CCN(Cc3ccccc3)CC2)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C22H26ClN7/c23-19-8-6-17(7-9-19)14-25-22-27-20(26-21(24)28-22)16-30-12-10-29(11-13-30)15-18-4-2-1-3-5-18/h1-9H,10-16H2,(H3,24,25,26,27,28)
InChIKeyGIZWGEBIMIDRFZ-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.04
Rot. Bonds7

About 6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine

6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 66507575) has the molecular formula C22H26ClN7 and a molecular weight of 423.95 g/mol. Its IUPAC name is 6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID66507575
Molecular FormulaC22H26ClN7
Molecular Weight423.95 g/mol
Exact Mass423.19
IUPAC Name6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN2CCN(Cc3ccccc3)CC2)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C22H26ClN7/c23-19-8-6-17(7-9-19)14-25-22-27-20(26-21(24)28-22)16-30-12-10-29(11-13-30)15-18-4-2-1-3-5-18/h1-9H,10-16H2,(H3,24,25,26,27,28)
InChIKeyGIZWGEBIMIDRFZ-UHFFFAOYSA-N
XLogP3.04
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-benzyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 66507121
2-N-[(4-methoxyphenyl)methyl]-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 66507321
4-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]aniline
CID 1017282
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 34700412
N-benzyl-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 54582423
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3162730
6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34700430
2-N-(1-benzylpiperidin-4-yl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 70694566
2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 66507544
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 66507388
4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112891536

Frequently Asked Questions

What is the IUPAC name of 6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 66507575) is 6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine is Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GIZWGEBIMIDRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN7/c23-19-8-6-17(7-9-19)14-25-22-27-20(26-21(24)28-22)16-30-12-10-29(11-13-30)15-18-4-2-1-3-5-18/h1-9H,10-16H2,(H3,24,25,26,27,28).
What are the key properties of 6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 423.95 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66507575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).