4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine

C14H26N6O — CID 80816942

IUPAC4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C14H26N6O/c1-6-15-11-16-12(18-13(17-11)21-7-2)20-9-8-19(5)14(3,4)10-20/h6-10H2,1-5H3,(H,15,16,17,18)
InChIKeyXTXMKBVZFGASIF-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.23
Rot. Bonds5

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

4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80816942) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID80816942
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C14H26N6O/c1-6-15-11-16-12(18-13(17-11)21-7-2)20-9-8-19(5)14(3,4)10-20/h6-10H2,1-5H3,(H,15,16,17,18)
InChIKeyXTXMKBVZFGASIF-UHFFFAOYSA-N
XLogP1.23
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107973
4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 103541981
4-(3,5-dimethylpiperidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80766730
4-ethoxy-N-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80820012
2-[1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
CID 107229222
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 81465005
4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80833964
4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine
CID 80857032
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 82751555
4-ethoxy-N-ethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80776425
N-ethyl-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine
CID 110178646

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 80816942) is 4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(N2CCN(C)C(C)(C)C2)n1.
What is the InChIKey of 4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is XTXMKBVZFGASIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-6-15-11-16-12(18-13(17-11)21-7-2)20-9-8-19(5)14(3,4)10-20/h6-10H2,1-5H3,(H,15,16,17,18).
What are the key properties of 4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 294.40 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80816942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).