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

C12H18N6S — CID 80807202

IUPAC2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC(Nc1nc(N)nc(N(C)C)n1)c1cccs1
InChIInChI=1S/C12H18N6S/c1-4-8(9-6-5-7-19-9)14-11-15-10(13)16-12(17-11)18(2)3/h5-8H,4H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyHKKPREKLZJAVBS-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.14
Rot. Bonds5

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

2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80807202) has the molecular formula C12H18N6S and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80807202
Molecular FormulaC12H18N6S
Molecular Weight278.39 g/mol
Exact Mass278.13
IUPAC Name2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC(Nc1nc(N)nc(N(C)C)n1)c1cccs1
InChIInChI=1S/C12H18N6S/c1-4-8(9-6-5-7-19-9)14-11-15-10(13)16-12(17-11)18(2)3/h5-8H,4H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyHKKPREKLZJAVBS-UHFFFAOYSA-N
XLogP2.14
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-N,2-N-dimethyl-6-propan-2-yl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 133418780
6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 10859400
6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 59874342
2-N-(2-methoxy-1-thiophen-2-ylethyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 59874344
6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 62863344
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-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 80901589
4-N-(1-thiophen-2-ylpropyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine;dihydrochloride
CID 154885577
6-ethoxy-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780976
4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 112637254
2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80961783
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 2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine (CID 80807202) is 2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine is CCC(Nc1nc(N)nc(N(C)C)n1)c1cccs1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HKKPREKLZJAVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-4-8(9-6-5-7-19-9)14-11-15-10(13)16-12(17-11)18(2)3/h5-8H,4H2,1-3H3,(H3,13,14,15,16,17).
What are the key properties of 2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 278.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80807202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).