6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

C12H23N5O2 — CID 80823798

IUPAC6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OCC)nc(N(C)CCCOC)n1
InChIInChI=1S/C12H23N5O2/c1-5-13-10-14-11(16-12(15-10)19-6-2)17(3)8-7-9-18-4/h5-9H2,1-4H3,(H,13,14,15,16)
InChIKeyYLRNKWNIDDZAEQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.17
Rot. Bonds9

About 6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80823798) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80823798
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OCC)nc(N(C)CCCOC)n1
InChIInChI=1S/C12H23N5O2/c1-5-13-10-14-11(16-12(15-10)19-6-2)17(3)8-7-9-18-4/h5-9H2,1-4H3,(H,13,14,15,16)
InChIKeyYLRNKWNIDDZAEQ-UHFFFAOYSA-N
XLogP1.17
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-2-N-(3-methoxypropyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80824057
6-ethoxy-4-N-ethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80780544
6-ethoxy-2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80795623
1-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80826303
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 80814007
2-N-ethyl-6-imidazol-1-yl-4-N-(3-methoxypropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80809214
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80837827
1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114953966
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 80771509
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80767664
2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80809793
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811135

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 80823798) is 6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is CCNc1nc(OCC)nc(N(C)CCCOC)n1.
What is the InChIKey of 6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YLRNKWNIDDZAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-5-13-10-14-11(16-12(15-10)19-6-2)17(3)8-7-9-18-4/h5-9H2,1-4H3,(H,13,14,15,16).
What are the key properties of 6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 269.35 g/mol, XLogP of 1.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80823798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).