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

C11H14ClN5S — CID 62863344

IUPAC6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(Cl)nc(N(C)C)n1)c1cccs1
InChIInChI=1S/C11H14ClN5S/c1-7(8-5-4-6-18-8)13-10-14-9(12)15-11(16-10)17(2)3/h4-7H,1-3H3,(H,13,14,15,16)
InChIKeyKVFPVYUHBHHFBT-UHFFFAOYSA-N
MW283.79 g/mol
LogP2.83
Rot. Bonds4

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

6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62863344) has the molecular formula C11H14ClN5S and a molecular weight of 283.79 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID62863344
Molecular FormulaC11H14ClN5S
Molecular Weight283.79 g/mol
Exact Mass283.07
IUPAC Name6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(Cl)nc(N(C)C)n1)c1cccs1
InChIInChI=1S/C11H14ClN5S/c1-7(8-5-4-6-18-8)13-10-14-9(12)15-11(16-10)17(2)3/h4-7H,1-3H3,(H,13,14,15,16)
InChIKeyKVFPVYUHBHHFBT-UHFFFAOYSA-N
XLogP2.83
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-chloro-4-N-ethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780980
6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869021
2-N,2-N-dimethyl-6-propan-2-yl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 133418780
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
6-chloro-2-N,2-N-dimethyl-4-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106214411
4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 115354957
2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80807202
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 62865255
4-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 62958907
4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80783650
4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium
CID 59879797
4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80802339

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine (CID 62863344) is 6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(Cl)nc(N(C)C)n1)c1cccs1.
What is the InChIKey of 6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KVFPVYUHBHHFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5S/c1-7(8-5-4-6-18-8)13-10-14-9(12)15-11(16-10)17(2)3/h4-7H,1-3H3,(H,13,14,15,16).
What are the key properties of 6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 283.79 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62863344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).