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

C22H27N7O2 — CID 666151

IUPAC2-N-(2-methoxyphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4OC)n3)CC2)c1
InChIInChI=1S/C22H27N7O2/c1-30-17-7-5-6-16(14-17)29-12-10-28(11-13-29)15-20-25-21(23)27-22(26-20)24-18-8-3-4-9-19(18)31-2/h3-9,14H,10-13,15H2,1-2H3,(H3,23,24,25,26,27)
InChIKeyOBUAPJQWPKWBCT-UHFFFAOYSA-N
MW421.51 g/mol
LogP2.54
Rot. Bonds7

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

2-N-(2-methoxyphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 666151) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 2-N-(2-methoxyphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID666151
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name2-N-(2-methoxyphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4OC)n3)CC2)c1
InChIInChI=1S/C22H27N7O2/c1-30-17-7-5-6-16(14-17)29-12-10-28(11-13-29)15-20-25-21(23)27-22(26-20)24-18-8-3-4-9-19(18)31-2/h3-9,14H,10-13,15H2,1-2H3,(H3,23,24,25,26,27)
InChIKeyOBUAPJQWPKWBCT-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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 666151) is 2-N-(2-methoxyphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4OC)n3)CC2)c1.
What is the InChIKey of 2-N-(2-methoxyphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OBUAPJQWPKWBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-30-17-7-5-6-16(14-17)29-12-10-28(11-13-29)15-20-25-21(23)27-22(26-20)24-18-8-3-4-9-19(18)31-2/h3-9,14H,10-13,15H2,1-2H3,(H3,23,24,25,26,27).
What are the key properties of 2-N-(2-methoxyphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
2-N-(2-methoxyphenyl)-6-[[4-(3-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-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 666151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).