1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C16H25N5O4 — CID 44523074

IUPAC1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(OC)c1OCCCON1C(N)=NC(N)=NC1(C)C
InChIInChI=1S/C16H25N5O4/c1-16(2)20-14(17)19-15(18)21(16)25-10-6-9-24-13-11(22-3)7-5-8-12(13)23-4/h5,7-8H,6,9-10H2,1-4H3,(H4,17,18,19,20)
InChIKeyWVNYRMNOAFRTRE-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.09
Rot. Bonds8

About 1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 44523074) has the molecular formula C16H25N5O4 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID44523074
Molecular FormulaC16H25N5O4
Molecular Weight351.41 g/mol
Exact Mass351.19
IUPAC Name1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(OC)c1OCCCON1C(N)=NC(N)=NC1(C)C
InChIInChI=1S/C16H25N5O4/c1-16(2)20-14(17)19-15(18)21(16)25-10-6-9-24-13-11(22-3)7-5-8-12(13)23-4/h5,7-8H,6,9-10H2,1-4H3,(H4,17,18,19,20)
InChIKeyWVNYRMNOAFRTRE-UHFFFAOYSA-N
XLogP1.09
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 44522559
1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44522556
1-[3-(2,3-dihydro-1H-inden-4-yloxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134120422
1-[3-(3-ethylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44522509
1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 44523086
1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 3008692
1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134126228
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide
CID 162664639
1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117027
1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine
CID 159252436
6,6-dimethyl-1-[(2,4,5-trichlorophenoxy)methoxy]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 44523150

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 44523074) is 1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is COc1cccc(OC)c1OCCCON1C(N)=NC(N)=NC1(C)C.
What is the InChIKey of 1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WVNYRMNOAFRTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4/c1-16(2)20-14(17)19-15(18)21(16)25-10-6-9-24-13-11(22-3)7-5-8-12(13)23-4/h5,7-8H,6,9-10H2,1-4H3,(H4,17,18,19,20).
What are the key properties of 1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 351.41 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 44523074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).