6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine

C14H21N5OS — CID 80837827

IUPAC6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OCC)nc(N(C)CCc2cccs2)n1
InChIInChI=1S/C14H21N5OS/c1-4-15-12-16-13(18-14(17-12)20-5-2)19(3)9-8-11-7-6-10-21-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16,17,18)
InChIKeyOKZFUUQPNSDJCH-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.44
Rot. Bonds8

About 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80837827) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80837827
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OCC)nc(N(C)CCc2cccs2)n1
InChIInChI=1S/C14H21N5OS/c1-4-15-12-16-13(18-14(17-12)20-5-2)19(3)9-8-11-7-6-10-21-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16,17,18)
InChIKeyOKZFUUQPNSDJCH-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80779648
N-ethyl-4-methoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873852
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-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80849343
1-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80826303
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80767664
6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80836777
4-ethoxy-N-methyl-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873581
2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine
CID 114785619
4-N-ethyl-6-methoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80773721
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-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811135

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine (CID 80837827) is 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(OCC)nc(N(C)CCc2cccs2)n1.
What is the InChIKey of 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OKZFUUQPNSDJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-4-15-12-16-13(18-14(17-12)20-5-2)19(3)9-8-11-7-6-10-21-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16,17,18).
What are the key properties of 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 307.42 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80837827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).