4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine

C13H23N5O — CID 80834392

IUPAC4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(N2CCCC(C)CC2)n1
InChIInChI=1S/C13H23N5O/c1-4-19-13-16-11(14-3)15-12(17-13)18-8-5-6-10(2)7-9-18/h10H,4-9H2,1-3H3,(H,14,15,16,17)
InChIKeyFNRJRVMGIUFQAZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.94
Rot. Bonds4

About 4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine

4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80834392) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine
PubChem CID80834392
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(N2CCCC(C)CC2)n1
InChIInChI=1S/C13H23N5O/c1-4-19-13-16-11(14-3)15-12(17-13)18-8-5-6-10(2)7-9-18/h10H,4-9H2,1-3H3,(H,14,15,16,17)
InChIKeyFNRJRVMGIUFQAZ-UHFFFAOYSA-N
XLogP1.94
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-methyl-6-(4-propylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80821666
4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80799026
4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 80844616
[4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80899195
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80793428
4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 102741381
3-[1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 80826047
4-but-3-ynoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106795532
3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80865821

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine (CID 80834392) is 4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(N2CCCC(C)CC2)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is FNRJRVMGIUFQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-19-13-16-11(14-3)15-12(17-13)18-8-5-6-10(2)7-9-18/h10H,4-9H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 265.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80834392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).