2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine

C11H17N7S — CID 80807387

IUPAC2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCc2nc(C)cs2)nc(N(C)C)n1
InChIInChI=1S/C11H17N7S/c1-7-6-19-8(14-7)5-13-10-15-9(12-2)16-11(17-10)18(3)4/h6H,5H2,1-4H3,(H2,12,13,15,16,17)
InChIKeyVTPIUKHYGTZQKL-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.36
Rot. Bonds5

About 2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 80807387) has the molecular formula C11H17N7S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID80807387
Molecular FormulaC11H17N7S
Molecular Weight279.37 g/mol
Exact Mass279.13
IUPAC Name2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCc2nc(C)cs2)nc(N(C)C)n1
InChIInChI=1S/C11H17N7S/c1-7-6-19-8(14-7)5-13-10-15-9(12-2)16-11(17-10)18(3)4/h6H,5H2,1-4H3,(H2,12,13,15,16,17)
InChIKeyVTPIUKHYGTZQKL-UHFFFAOYSA-N
XLogP1.36
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

6-hydrazinyl-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80897667
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-N-methyl-2-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783828
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
2-N,2-N,6-N-trimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80821942
4-N-[(3-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80854992
2-N,2-N,6-N-trimethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 106411601
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 79826586
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 114448176
2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine
CID 115748558
4-N-[2-(dimethylamino)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80770283

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 80807387) is 2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine is CNc1nc(NCc2nc(C)cs2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VTPIUKHYGTZQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7S/c1-7-6-19-8(14-7)5-13-10-15-9(12-2)16-11(17-10)18(3)4/h6H,5H2,1-4H3,(H2,12,13,15,16,17).
What are the key properties of 2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 279.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80807387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).