6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine

C14H28N6O — CID 80871928

IUPAC6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NC)nc(OCC(C)(C)N(C)C)n1
InChIInChI=1S/C14H28N6O/c1-8-20(9-2)12-16-11(15-5)17-13(18-12)21-10-14(3,4)19(6)7/h8-10H2,1-7H3,(H,15,16,17,18)
InChIKeySZYXQASKUXNBFD-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.48
Rot. Bonds8

About 6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine

6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80871928) has the molecular formula C14H28N6O and a molecular weight of 296.42 g/mol. Its IUPAC name is 6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80871928
Molecular FormulaC14H28N6O
Molecular Weight296.42 g/mol
Exact Mass296.23
IUPAC Name6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NC)nc(OCC(C)(C)N(C)C)n1
InChIInChI=1S/C14H28N6O/c1-8-20(9-2)12-16-11(15-5)17-13(18-12)21-10-14(3,4)19(6)7/h8-10H2,1-7H3,(H,15,16,17,18)
InChIKeySZYXQASKUXNBFD-UHFFFAOYSA-N
XLogP1.48
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80871928) is 6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NC)nc(OCC(C)(C)N(C)C)n1.
What is the InChIKey of 6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SZYXQASKUXNBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O/c1-8-20(9-2)12-16-11(15-5)17-13(18-12)21-10-14(3,4)19(6)7/h8-10H2,1-7H3,(H,15,16,17,18).
What are the key properties of 6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 296.42 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80871928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).