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

C22H27N7O2 — CID 665928

IUPAC2-N-(2-methoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4OC)n3)CC2)cc1
InChIInChI=1S/C22H27N7O2/c1-30-17-9-7-16(8-10-17)29-13-11-28(12-14-29)15-20-25-21(23)27-22(26-20)24-18-5-3-4-6-19(18)31-2/h3-10H,11-15H2,1-2H3,(H3,23,24,25,26,27)
InChIKeyNUXNRDBZVAEAIN-UHFFFAOYSA-N
MW421.51 g/mol
LogP2.54
Rot. Bonds7

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

2-N-(2-methoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 665928) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 2-N-(2-methoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID665928
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name2-N-(2-methoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4OC)n3)CC2)cc1
InChIInChI=1S/C22H27N7O2/c1-30-17-9-7-16(8-10-17)29-13-11-28(12-14-29)15-20-25-21(23)27-22(26-20)24-18-5-3-4-6-19(18)31-2/h3-10H,11-15H2,1-2H3,(H3,23,24,25,26,27)
InChIKeyNUXNRDBZVAEAIN-UHFFFAOYSA-N
XLogP2.54
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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
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
6-{[cyclohexyl(methyl)amino]methyl}-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1088062
4-chloro-N-(4-fluorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 1202188
{4-Amino-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl piperidine-1-carbodithioate
CID 1332897
6-[(4-benzyl-1-piperidinyl)methyl]-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1382129

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 665928) is 2-N-(2-methoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is COc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4OC)n3)CC2)cc1.
What is the InChIKey of 2-N-(2-methoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is NUXNRDBZVAEAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-30-17-9-7-16(8-10-17)29-13-11-28(12-14-29)15-20-25-21(23)27-22(26-20)24-18-5-3-4-6-19(18)31-2/h3-10H,11-15H2,1-2H3,(H3,23,24,25,26,27).
What are the key properties of 2-N-(2-methoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
2-N-(2-methoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 421.51 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 665928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).