6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine

C14H21N5OS — CID 80836777

IUPAC6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(N(C)C(C)Cc2cccs2)n1
InChIInChI=1S/C14H21N5OS/c1-5-20-14-17-12(15-3)16-13(18-14)19(4)10(2)9-11-7-6-8-21-11/h6-8,10H,5,9H2,1-4H3,(H,15,16,17,18)
InChIKeyLQAGFURGLJMYAL-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.44
Rot. Bonds7

About 6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80836777) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80836777
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(N(C)C(C)Cc2cccs2)n1
InChIInChI=1S/C14H21N5OS/c1-5-20-14-17-12(15-3)16-13(18-14)19(4)10(2)9-11-7-6-8-21-11/h6-8,10H,5,9H2,1-4H3,(H,15,16,17,18)
InChIKeyLQAGFURGLJMYAL-UHFFFAOYSA-N
XLogP2.44
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-ethoxy-N-methyl-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873581
2-N,4-N,6-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80850116
2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80836580
2-N,4-N,5-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80849338
6-ethoxy-4-N-methyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781075
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80837827
6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80837356
6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80779648
2-N,4-N,4-N-trimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 80849728
4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80813456
6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80782695
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547721

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 80836777) is 6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(N(C)C(C)Cc2cccs2)n1.
What is the InChIKey of 6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LQAGFURGLJMYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-5-20-14-17-12(15-3)16-13(18-14)19(4)10(2)9-11-7-6-8-21-11/h6-8,10H,5,9H2,1-4H3,(H,15,16,17,18).
What are the key properties of 6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 307.42 g/mol, XLogP of 2.44, 7 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-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80836777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).