N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine

C11H21N5O2 — CID 62862123

IUPACN-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCOc1nc(NCCCCN(C)C)nc(OC)n1
InChIInChI=1S/C11H21N5O2/c1-16(2)8-6-5-7-12-9-13-10(17-3)15-11(14-9)18-4/h5-8H2,1-4H3,(H,12,13,14,15)
InChIKeyLJYOEULUFLHXCF-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.64
Rot. Bonds8

About N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine

N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine (PubChem CID 62862123) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine
PubChem CID62862123
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC NameN-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCOc1nc(NCCCCN(C)C)nc(OC)n1
InChIInChI=1S/C11H21N5O2/c1-16(2)8-6-5-7-12-9-13-10(17-3)15-11(14-9)18-4/h5-8H2,1-4H3,(H,12,13,14,15)
InChIKeyLJYOEULUFLHXCF-UHFFFAOYSA-N
XLogP0.64
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.64
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

4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 106842670
N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 113292899
2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80816661
N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine
CID 114600534
4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 80786527
4-[2-(dimethylamino)ethoxy]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80871890
6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
CID 106042094
4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816587
N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80943903
2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433
2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80777165
4-N-(2-chloroethyl)-6-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 14341532

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine (CID 62862123) is N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine is COc1nc(NCCCCN(C)C)nc(OC)n1.
What is the InChIKey of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is LJYOEULUFLHXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-16(2)8-6-5-7-12-9-13-10(17-3)15-11(14-9)18-4/h5-8H2,1-4H3,(H,12,13,14,15).
What are the key properties of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine?
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 255.32 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 62862123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).