4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine

C11H21N5O — CID 80786527

IUPAC4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCNc1nc(NCC)nc(OC)n1
InChIInChI=1S/C11H21N5O/c1-4-6-7-8-13-10-14-9(12-5-2)15-11(16-10)17-3/h4-8H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyLPZYWHNYXVVETM-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.91
Rot. Bonds8

About 4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine (PubChem CID 80786527) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine
PubChem CID80786527
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCNc1nc(NCC)nc(OC)n1
InChIInChI=1S/C11H21N5O/c1-4-6-7-8-13-10-14-9(12-5-2)15-11(16-10)17-3/h4-8H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyLPZYWHNYXVVETM-UHFFFAOYSA-N
XLogP1.91
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433
N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide
CID 106332291
4-N-ethyl-6-methoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80790808
2-N,2-N-dibutyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753763
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 106842670
N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine
CID 80861953
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
2-N-(2-butoxyethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80819040
1-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80841768
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine
CID 62862123
N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine (CID 80786527) is 4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine is CCCCCNc1nc(NCC)nc(OC)n1.
What is the InChIKey of 4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LPZYWHNYXVVETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-6-7-8-13-10-14-9(12-5-2)15-11(16-10)17-3/h4-8H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine has a molecular weight of 239.32 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80786527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).