2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C21H28N12S2 — CID 146588690

IUPAC2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N)nc(N(C)CCc2cc(Nc3nc(N)nc(N(C)CCc4cccs4)n3)cs2)n1
InChIInChI=1S/C21H28N12S2/c1-24-18-26-16(22)28-20(30-18)33(3)9-7-15-11-13(12-35-15)25-19-27-17(23)29-21(31-19)32(2)8-6-14-5-4-10-34-14/h4-5,10-12H,6-9H2,1-3H3,(H3,22,24,26,28,30)(H3,23,25,27,29,31)
InChIKeyMLEZJAONNNGZDD-UHFFFAOYSA-N
MW512.67 g/mol
LogP2.49
Rot. Bonds11

About 2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine

2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 146588690) has the molecular formula C21H28N12S2 and a molecular weight of 512.67 g/mol. Its IUPAC name is 2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID146588690
Molecular FormulaC21H28N12S2
Molecular Weight512.67 g/mol
Exact Mass512.20
IUPAC Name2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N)nc(N(C)CCc2cc(Nc3nc(N)nc(N(C)CCc4cccs4)n3)cs2)n1
InChIInChI=1S/C21H28N12S2/c1-24-18-26-16(22)28-20(30-18)33(3)9-7-15-11-13(12-35-15)25-19-27-17(23)29-21(31-19)32(2)8-6-14-5-4-10-34-14/h4-5,10-12H,6-9H2,1-3H3,(H3,22,24,26,28,30)(H3,23,25,27,29,31)
InChIKeyMLEZJAONNNGZDD-UHFFFAOYSA-N
XLogP2.49
TPSA159.92 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.67
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80836580
2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80849343
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-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80774971
6-N-methyl-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
CID 80652044
4-N,2-dimethyl-4-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79475986
4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772464
4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80849972
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79486566
1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
CID 79475627
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79476283

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 146588690) is 2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(N)nc(N(C)CCc2cc(Nc3nc(N)nc(N(C)CCc4cccs4)n3)cs2)n1.
What is the InChIKey of 2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MLEZJAONNNGZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N12S2/c1-24-18-26-16(22)28-20(30-18)33(3)9-7-15-11-13(12-35-15)25-19-27-17(23)29-21(31-19)32(2)8-6-14-5-4-10-34-14/h4-5,10-12H,6-9H2,1-3H3,(H3,22,24,26,28,30)(H3,23,25,27,29,31).
What are the key properties of 2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 512.67 g/mol, XLogP of 2.49, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 146588690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).