2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine

C13H21N7S — CID 94031758

About 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 94031758) has the molecular formula C13H21N7S and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 94031758
• Molecular Formula: C13H21N7S
• Molecular Weight: 307.43 g/mol
• Exact Mass: 307.16
• IUPAC Name: 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
• SMILES: Cc1ncc(CN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)s1
• InChI: InChI=1S/C13H21N7S/c1-8(20(5)7-10-6-15-9(2)21-10)11-16-12(14)18-13(17-11)19(3)4/h6,8H,7H2,1-5H3,(H2,14,16,17,18)/t8-/m0/s1
• InChIKey: VQBHQCJJTPWLBF-QMMMGPOBSA-N
• XLogP: 1.48
• TPSA: 84.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.43
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine (CID 94031758) is 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine is Cc1ncc(CN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)s1.

What is the InChIKey of 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is VQBHQCJJTPWLBF-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H21N7S/c1-8(20(5)7-10-6-15-9(2)21-10)11-16-12(14)18-13(17-11)19(3)4/h6,8H,7H2,1-5H3,(H2,14,16,17,18)/t8-/m0/s1.

What are the key properties of 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine?

2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 307.43 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 94031758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).