4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

C12H23N5O2 — CID 80878227

IUPAC4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OCC(C)(C)N(C)C)n1
InChIInChI=1S/C12H23N5O2/c1-7-18-10-14-9(13-4)15-11(16-10)19-8-12(2,3)17(5)6/h7-8H2,1-6H3,(H,13,14,15,16)
InChIKeyVZXOPIVKSZZEMU-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.03
Rot. Bonds7

About 4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80878227) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID80878227
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OCC(C)(C)N(C)C)n1
InChIInChI=1S/C12H23N5O2/c1-7-18-10-14-9(13-4)15-11(16-10)19-8-12(2,3)17(5)6/h7-8H2,1-6H3,(H,13,14,15,16)
InChIKeyVZXOPIVKSZZEMU-UHFFFAOYSA-N
XLogP1.03
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80812370
6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80871928
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-(cyclopropylmethoxy)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80867578
6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80782695
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
4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine
CID 80859346
N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80871130
2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80797891
4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80871773

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (CID 80878227) is 4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(OCC(C)(C)N(C)C)n1.
What is the InChIKey of 4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is VZXOPIVKSZZEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-7-18-10-14-9(13-4)15-11(16-10)19-8-12(2,3)17(5)6/h7-8H2,1-6H3,(H,13,14,15,16).
What are the key properties of 4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80878227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).