4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine

C20H23N5O2 — CID 23536418

IUPAC4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2ncnc(N(C)C(C)c3ccccc3)n2)cc1OC
InChIInChI=1S/C20H23N5O2/c1-14(15-8-6-5-7-9-15)25(2)20-22-13-21-19(24-20)23-16-10-11-17(26-3)18(12-16)27-4/h5-14H,1-4H3,(H,21,22,23,24)
InChIKeyXFHYQRQHXIVKEB-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.83
Rot. Bonds7

About 4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine

4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23536418) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID23536418
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2ncnc(N(C)C(C)c3ccccc3)n2)cc1OC
InChIInChI=1S/C20H23N5O2/c1-14(15-8-6-5-7-9-15)25(2)20-22-13-21-19(24-20)23-16-10-11-17(26-3)18(12-16)27-4/h5-14H,1-4H3,(H,21,22,23,24)
InChIKeyXFHYQRQHXIVKEB-UHFFFAOYSA-N
XLogP3.83
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

methyl 4-[[4-(3,4-dimethoxyanilino)-1,3,5-triazin-2-yl]-methylamino]benzoate
CID 23536188
2-N-(4-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)-2-N-(3-phenylprop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 74060481
2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536406
2-N-(3,4-dimethoxyphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112927517
bis(4-chloro-N-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine);2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine;2,4-dichloro-1,3,5-triazine;3,4-dimethoxyaniline
CID 158113183
2-N-(4-methoxyphenyl)-2-N-methyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536634
4-N-(3,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903113
3-[[4-(3,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]propanenitrile
CID 23535836
2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535781
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125
4-N-(3,4-dimethoxyphenyl)-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 23536414
2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903721

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine (CID 23536418) is 4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2ncnc(N(C)C(C)c3ccccc3)n2)cc1OC.
What is the InChIKey of 4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XFHYQRQHXIVKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14(15-8-6-5-7-9-15)25(2)20-22-13-21-19(24-20)23-16-10-11-17(26-3)18(12-16)27-4/h5-14H,1-4H3,(H,21,22,23,24).
What are the key properties of 4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 365.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).