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

C10H14N6S — CID 80828116

IUPAC2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCc2ccsc2)n1
InChIInChI=1S/C10H14N6S/c1-16(2)10-14-8(11)13-9(15-10)12-5-7-3-4-17-6-7/h3-4,6H,5H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyBELFYPLXBVMDNE-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.19
Rot. Bonds4

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

2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80828116) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80828116
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCc2ccsc2)n1
InChIInChI=1S/C10H14N6S/c1-16(2)10-14-8(11)13-9(15-10)12-5-7-3-4-17-6-7/h3-4,6H,5H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyBELFYPLXBVMDNE-UHFFFAOYSA-N
XLogP1.19
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-thiophen-3-ylethanol
CID 106436433
2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80801144
6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80800490
2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80807969
4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80797100
2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80816988
4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80794517
4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80777252
4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80845995
4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 158136349
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80781146

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 80828116) is 2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(NCc2ccsc2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BELFYPLXBVMDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-16(2)10-14-8(11)13-9(15-10)12-5-7-3-4-17-6-7/h3-4,6H,5H2,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 250.33 g/mol, XLogP of 1.19, 4 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-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80828116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).