4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine

C14H18N4O3 — CID 832190

IUPAC4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2ccc(OC)cc2)nc(OCC)n1
InChIInChI=1S/C14H18N4O3/c1-4-20-13-16-12(17-14(18-13)21-5-2)15-10-6-8-11(19-3)9-7-10/h6-9H,4-5H2,1-3H3,(H,15,16,17,18)
InChIKeyIMLDAJYPOVPUHL-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.42
Rot. Bonds7

About 4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine

4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 832190) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID832190
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2ccc(OC)cc2)nc(OCC)n1
InChIInChI=1S/C14H18N4O3/c1-4-20-13-16-12(17-14(18-13)21-5-2)15-10-6-8-11(19-3)9-7-10/h6-9H,4-5H2,1-3H3,(H,15,16,17,18)
InChIKeyIMLDAJYPOVPUHL-UHFFFAOYSA-N
XLogP2.42
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-Diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine
CID 88868
1-(4-Methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 9551963
N,N'-Bis-(4-butoxy-phenyl)-guanidine
CID 10594376
6-(Chloromethyl)-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 931904
6-chloro-N,N'-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
6-chloro-N,N'-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
6-(chloromethyl)-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 932657
4-({4-Methoxy-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-yl}amino)phenol
CID 1259630
4-((4,6-Dimethylpyrimidin-2-yl)oxy)aniline
CID 767037
2-[[4-(2-Methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648021
2-[[4-(4-Methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648023
6-hydrazinyl-N2,N4-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1547730

Frequently Asked Questions

What is the IUPAC name of 4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine (CID 832190) is 4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine is CCOc1nc(Nc2ccc(OC)cc2)nc(OCC)n1.
What is the InChIKey of 4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is IMLDAJYPOVPUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-4-20-13-16-12(17-14(18-13)21-5-2)15-10-6-8-11(19-3)9-7-10/h6-9H,4-5H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine?
4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 290.32 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 832190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).