6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C21H25N7O — CID 666183

IUPAC6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C21H25N7O/c1-29-18-10-6-5-9-17(18)28-13-11-27(12-14-28)15-19-24-20(22)26-21(25-19)23-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H3,22,23,24,25,26)
InChIKeyDNOFXAHPJHHNTA-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.53
Rot. Bonds6

About 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 666183) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID666183
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C21H25N7O/c1-29-18-10-6-5-9-17(18)28-13-11-27(12-14-28)15-19-24-20(22)26-21(25-19)23-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H3,22,23,24,25,26)
InChIKeyDNOFXAHPJHHNTA-UHFFFAOYSA-N
XLogP2.53
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

Bisanilinopyrimidine, 6f
CID 70702137
6-(chloromethyl)-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 937086
N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 942531
6-chloro-N,N'-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
2-[[4-(2-Methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648021
2-[[4-(2-Phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648026
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865599
N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 944935
N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 2950845
N-(4-Methoxy-phenyl)-6-morpholin-4-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 651619
6-(4-Methoxy-phenoxymethyl)-N-phenyl-[1,3,5]triazine-2,4-diamine
CID 937121
6-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 941892

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 666183) is 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccccc3)n2)CC1.
What is the InChIKey of 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DNOFXAHPJHHNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-29-18-10-6-5-9-17(18)28-13-11-27(12-14-28)15-19-24-20(22)26-21(25-19)23-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H3,22,23,24,25,26).
What are the key properties of 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 391.48 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 666183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).