2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine

C23H29N5O2 — CID 10501566

IUPAC2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CCN(C)c2nc(C)nc(Nc3ccc(C)cc3C)n2)cc1OC
InChIInChI=1S/C23H29N5O2/c1-15-7-9-19(16(2)13-15)26-22-24-17(3)25-23(27-22)28(4)12-11-18-8-10-20(29-5)21(14-18)30-6/h7-10,13-14H,11-12H2,1-6H3,(H,24,25,26,27)
InChIKeyMOFRORNVGRSBQM-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.24
Rot. Bonds8

About 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine

2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 10501566) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID10501566
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CCN(C)c2nc(C)nc(Nc3ccc(C)cc3C)n2)cc1OC
InChIInChI=1S/C23H29N5O2/c1-15-7-9-19(16(2)13-15)26-22-24-17(3)25-23(27-22)28(4)12-11-18-8-10-20(29-5)21(14-18)30-6/h7-10,13-14H,11-12H2,1-6H3,(H,24,25,26,27)
InChIKeyMOFRORNVGRSBQM-UHFFFAOYSA-N
XLogP4.24
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-benzyl-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 10664382
2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 10617227
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922793
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922544
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide
CID 108949721
2-N-(2,4-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 10520798
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335636
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112874986
N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109123473
2-N-(2,4-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921312
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylanilino)propanamide
CID 109027746

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 10501566) is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine is COc1ccc(CCN(C)c2nc(C)nc(Nc3ccc(C)cc3C)n2)cc1OC.
What is the InChIKey of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MOFRORNVGRSBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15-7-9-19(16(2)13-15)26-22-24-17(3)25-23(27-22)28(4)12-11-18-8-10-20(29-5)21(14-18)30-6/h7-10,13-14H,11-12H2,1-6H3,(H,24,25,26,27).
What are the key properties of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 407.52 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10501566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).