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

C13H22N8 — CID 42926111

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

2-N,2-N-dimethyl-6-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 42926111) has the molecular formula C13H22N8 and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N,2-N-dimethyl-6-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 42926111
• Molecular Formula: C13H22N8
• Molecular Weight: 290.38 g/mol
• Exact Mass: 290.20
• IUPAC Name: 2-N,2-N-dimethyl-6-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
• SMILES: CC(c1nc(N)nc(N(C)C)n1)N(C)Cc1cnn(C)c1
• InChI: InChI=1S/C13H22N8/c1-9(20(4)7-10-6-15-21(5)8-10)11-16-12(14)18-13(17-11)19(2)3/h6,8-9H,7H2,1-5H3,(H2,14,16,17,18)
• InChIKey: LWKZUSFPQHCJTJ-UHFFFAOYSA-N
• XLogP: 0.45
• TPSA: 88.99 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	290.38
LogP ≤ 5	0.45
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-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N,2-N-dimethyl-6-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine (CID 42926111) is 2-N,2-N-dimethyl-6-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine.

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

The canonical SMILES for 2-N,2-N-dimethyl-6-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine is CC(c1nc(N)nc(N(C)C)n1)N(C)Cc1cnn(C)c1.

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

The InChIKey is LWKZUSFPQHCJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N8/c1-9(20(4)7-10-6-15-21(5)8-10)11-16-12(14)18-13(17-11)19(2)3/h6,8-9H,7H2,1-5H3,(H2,14,16,17,18).

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

2-N,2-N-dimethyl-6-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 290.38 g/mol, XLogP of 0.45, 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-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 42926111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).