2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine

C14H22N6S — CID 80779800

IUPAC2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(N(C)C)nc(N(CC)Cc2cccs2)n1
InChIInChI=1S/C14H22N6S/c1-5-15-12-16-13(19(3)4)18-14(17-12)20(6-2)10-11-8-7-9-21-11/h7-9H,5-6,10H2,1-4H3,(H,15,16,17,18)
InChIKeyCHASUZOYTNNHQY-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.46
Rot. Bonds7

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

2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80779800) has the molecular formula C14H22N6S and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80779800
Molecular FormulaC14H22N6S
Molecular Weight306.44 g/mol
Exact Mass306.16
IUPAC Name2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(N(C)C)nc(N(CC)Cc2cccs2)n1
InChIInChI=1S/C14H22N6S/c1-5-15-12-16-13(19(3)4)18-14(17-12)20(6-2)10-11-8-7-9-21-11/h7-9H,5-6,10H2,1-4H3,(H,15,16,17,18)
InChIKeyCHASUZOYTNNHQY-UHFFFAOYSA-N
XLogP2.46
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-chloro-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799671
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-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80798994
2-N,6-N-diethyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 80798911
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80837827
4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933060
6-chloro-2-N-methyl-4-N-propyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80781480
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781911
2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808333
N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 78818781
6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 80768818
2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80782409

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 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) is 2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is CCNc1nc(N(C)C)nc(N(CC)Cc2cccs2)n1.
What is the InChIKey of 2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is CHASUZOYTNNHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6S/c1-5-15-12-16-13(19(3)4)18-14(17-12)20(6-2)10-11-8-7-9-21-11/h7-9H,5-6,10H2,1-4H3,(H,15,16,17,18).
What are the key properties of 2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 306.44 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80779800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).