2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol

C21H25N7O2 — CID 46630872

IUPAC2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol
SMILESCOc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccc3O)CC2)n1
InChIInChI=1S/C21H25N7O2/c1-30-18-9-5-2-6-15(18)23-21-25-19(24-20(22)26-21)14-27-10-12-28(13-11-27)16-7-3-4-8-17(16)29/h2-9,29H,10-14H2,1H3,(H3,22,23,24,25,26)
InChIKeyFYQNRUCTFQZFEK-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.23
Rot. Bonds6

About 2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol

2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol (PubChem CID 46630872) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol
PubChem CID46630872
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol
SMILESCOc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccc3O)CC2)n1
InChIInChI=1S/C21H25N7O2/c1-30-18-9-5-2-6-15(18)23-21-25-19(24-20(22)26-21)14-27-10-12-28(13-11-27)16-7-3-4-8-17(16)29/h2-9,29H,10-14H2,1H3,(H3,22,23,24,25,26)
InChIKeyFYQNRUCTFQZFEK-UHFFFAOYSA-N
XLogP2.23
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol with MolForge

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Related Compounds

6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 665945
6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1382129
2-N-benzyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 66507121
[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35221728
2-N-(3-chloro-4-methylphenyl)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 665892
2-N-(5-chloro-2-methoxyphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 1494734
(5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 95786035
1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56525149
2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 7230327
6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine
CID 16584809
6-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 146152372
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3162730

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol (CID 46630872) is 2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol is COc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccc3O)CC2)n1.
What is the InChIKey of 2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol?
The InChIKey is FYQNRUCTFQZFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-30-18-9-5-2-6-15(18)23-21-25-19(24-20(22)26-21)14-27-10-12-28(13-11-27)16-7-3-4-8-17(16)29/h2-9,29H,10-14H2,1H3,(H3,22,23,24,25,26).
What are the key properties of 2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol?
2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol has a molecular weight of 407.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 46630872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).