2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine

C11H15N5S — CID 112746053

IUPAC2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(N(C)C(C)c2cccs2)n1
InChIInChI=1S/C11H15N5S/c1-7(9-5-4-6-17-9)16(3)11-14-8(2)13-10(12)15-11/h4-7H,1-3H3,(H2,12,13,14,15)
InChIKeyZQTOOBFYBHFQKC-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.02
Rot. Bonds3

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

2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112746053) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID112746053
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(N(C)C(C)c2cccs2)n1
InChIInChI=1S/C11H15N5S/c1-7(9-5-4-6-17-9)16(3)11-14-8(2)13-10(12)15-11/h4-7H,1-3H3,(H2,12,13,14,15)
InChIKeyZQTOOBFYBHFQKC-UHFFFAOYSA-N
XLogP2.02
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80804482
4-(chloromethyl)-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 114220018
6-hydrazinyl-N,2-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80905613
4-N,5-dimethyl-2-propan-2-yl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80987613
2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 55234561
4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864288
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
2-N-(2-methoxy-1-thiophen-2-ylethyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 59874344
3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 104506605
2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62482403
2-hydrazinyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80904270
2-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80905612

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine (CID 112746053) is 2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(N(C)C(C)c2cccs2)n1.
What is the InChIKey of 2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZQTOOBFYBHFQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-7(9-5-4-6-17-9)16(3)11-14-8(2)13-10(12)15-11/h4-7H,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 249.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).