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

C12H24N6O — CID 80812370

IUPAC2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCC(C)(C)N(C)C)n1
InChIInChI=1S/C12H24N6O/c1-7-19-11-16-9(13-4)15-10(17-11)14-8-12(2,3)18(5)6/h7-8H2,1-6H3,(H2,13,14,15,16,17)
InChIKeySPPWHMPGUNPAEJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.06
Rot. Bonds7

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

2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80812370) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80812370
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCC(C)(C)N(C)C)n1
InChIInChI=1S/C12H24N6O/c1-7-19-11-16-9(13-4)15-10(17-11)14-8-12(2,3)18(5)6/h7-8H2,1-6H3,(H2,13,14,15,16,17)
InChIKeySPPWHMPGUNPAEJ-UHFFFAOYSA-N
XLogP1.06
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80815568
1-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 80902362
4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80878227
3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366530
4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149830
6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80871928
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80898695
2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80814591
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466702
2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80846117
6-ethoxy-4-N-ethyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296113

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80812370) is 2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(NCC(C)(C)N(C)C)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SPPWHMPGUNPAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-7-19-11-16-9(13-4)15-10(17-11)14-8-12(2,3)18(5)6/h7-8H2,1-6H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 268.36 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80812370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).