4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

C18H18N4O3 — CID 23536125

IUPAC4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C18H18N4O3/c1-23-14-9-13(10-15(24-2)16(14)25-3)21-18-20-11-19-17(22-18)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20,21,22)
InChIKeyYURBEZLFVOASRB-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.31
Rot. Bonds6

About 4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 23536125) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID23536125
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C18H18N4O3/c1-23-14-9-13(10-15(24-2)16(14)25-3)21-18-20-11-19-17(22-18)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20,21,22)
InChIKeyYURBEZLFVOASRB-UHFFFAOYSA-N
XLogP3.31
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535998
4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536108
2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536645
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535916
4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535911
2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535780
4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536693
3-[[4-(3-hydroxy-4,5-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzoic acid
CID 142056685
4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112902093
2-N-(4-methoxyphenyl)-2-N-methyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536634
2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536686

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (CID 23536125) is 4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is COc1cc(Nc2ncnc(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is YURBEZLFVOASRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-23-14-9-13(10-15(24-2)16(14)25-3)21-18-20-11-19-17(22-18)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20,21,22).
What are the key properties of 4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 338.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 23536125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).