6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C14H21N5OS — CID 80779648

IUPAC6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OCC)nc(N(CC)Cc2cccs2)n1
InChIInChI=1S/C14H21N5OS/c1-4-15-12-16-13(18-14(17-12)20-6-3)19(5-2)10-11-8-7-9-21-11/h7-9H,4-6,10H2,1-3H3,(H,15,16,17,18)
InChIKeyWPVHITOGEUYKFR-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.79
Rot. Bonds8

About 6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80779648) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80779648
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OCC)nc(N(CC)Cc2cccs2)n1
InChIInChI=1S/C14H21N5OS/c1-4-15-12-16-13(18-14(17-12)20-6-3)19(5-2)10-11-8-7-9-21-11/h7-9H,4-6,10H2,1-3H3,(H,15,16,17,18)
InChIKeyWPVHITOGEUYKFR-UHFFFAOYSA-N
XLogP2.79
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine 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

6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80837827
2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80779800
6-chloro-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799671
N-ethyl-4-methoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873852
2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80798994
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-ethylamino]acetamide
CID 103104298
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80767664
6-ethoxy-4-N-ethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80780544
6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80836777
N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 78818781
4-ethoxy-N-methyl-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873581
6-(2,2-difluoroethoxy)-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 82009098

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80779648) is 6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(OCC)nc(N(CC)Cc2cccs2)n1.
What is the InChIKey of 6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WPVHITOGEUYKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-4-15-12-16-13(18-14(17-12)20-6-3)19(5-2)10-11-8-7-9-21-11/h7-9H,4-6,10H2,1-3H3,(H,15,16,17,18).
What are the key properties of 6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 307.42 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80779648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).