4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine

C13H24N6O2 — CID 80773943

IUPAC4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NC)nc(NCC2COCCO2)n1
InChIInChI=1S/C13H24N6O2/c1-4-19(5-2)13-17-11(14-3)16-12(18-13)15-8-10-9-20-6-7-21-10/h10H,4-9H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyBMJKJCYNHHPLSM-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.59
Rot. Bonds7

About 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine

4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80773943) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80773943
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NC)nc(NCC2COCCO2)n1
InChIInChI=1S/C13H24N6O2/c1-4-19(5-2)13-17-11(14-3)16-12(18-13)15-8-10-9-20-6-7-21-10/h10H,4-9H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyBMJKJCYNHHPLSM-UHFFFAOYSA-N
XLogP0.59
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80774497
2-N,2-N,6-N-triethyl-4-N-(oxolan-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80804461
4-N-(2-cyclopropylethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80847463
2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80818773
2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80833360
2-N,2-N-diethyl-4-N-(2-methoxyethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80766275
4-N-(1,4-dioxan-2-ylmethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770987
2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80783182
6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771271
N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250265
5-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969704
N-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine
CID 106563560

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 80773943) is 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(NC)nc(NCC2COCCO2)n1.
What is the InChIKey of 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BMJKJCYNHHPLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-4-19(5-2)13-17-11(14-3)16-12(18-13)15-8-10-9-20-6-7-21-10/h10H,4-9H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 296.38 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80773943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).