2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

C17H23N7O2 — CID 666424

IUPAC2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCN1CCN(Cc2nc(N)nc(Nc3ccc4c(c3)OCCO4)n2)CC1
InChIInChI=1S/C17H23N7O2/c1-23-4-6-24(7-5-23)11-15-20-16(18)22-17(21-15)19-12-2-3-13-14(10-12)26-9-8-25-13/h2-3,10H,4-9,11H2,1H3,(H3,18,19,20,21,22)
InChIKeyMQYYSUSHCYKIQR-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.72
Rot. Bonds4

About 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 666424) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID666424
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCN1CCN(Cc2nc(N)nc(Nc3ccc4c(c3)OCCO4)n2)CC1
InChIInChI=1S/C17H23N7O2/c1-23-4-6-24(7-5-23)11-15-20-16(18)22-17(21-15)19-12-2-3-13-14(10-12)26-9-8-25-13/h2-3,10H,4-9,11H2,1H3,(H3,18,19,20,21,22)
InChIKeyMQYYSUSHCYKIQR-UHFFFAOYSA-N
XLogP0.72
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine
CID 132021720
N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 944935
N-(4-Methoxy-phenyl)-6-morpholin-4-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 651619
6-{[cyclohexyl(methyl)amino]methyl}-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1088062
N-(4-amino-6-{[4-(3-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)amine
CID 666151
6-[(4-benzylpiperazin-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine
CID 666309
(4,6-Di-piperidin-1-yl-[1,3,5]triazin-2-yl)-(4-ethoxy-phenyl)-amine
CID 1113670
N-(4-ethoxyphenyl)-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3,5-triazine-2,4-diamine
CID 1971778
Ethyl 4-({4-amino-6-[(4-phenoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl)-1-piperazinecarboxylate
CID 2983680
6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3163547
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 5738285
N2-(3,4-dimethoxyphenyl)-6-morpholino-N4-phenyl-1,3,5-triazine-2,4-diamine
CID 42065577

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 666424) is 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is CN1CCN(Cc2nc(N)nc(Nc3ccc4c(c3)OCCO4)n2)CC1.
What is the InChIKey of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is MQYYSUSHCYKIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-23-4-6-24(7-5-23)11-15-20-16(18)22-17(21-15)19-12-2-3-13-14(10-12)26-9-8-25-13/h2-3,10H,4-9,11H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 357.42 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 666424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).