2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine

C10H20N8 — CID 83027620

IUPAC2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCN1CCN(Nc2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C10H20N8/c1-16(2)10-13-8(11)12-9(14-10)15-18-6-4-17(3)5-7-18/h4-7H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyPBADDILZUJLKRJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP-0.91
Rot. Bonds3

About 2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 83027620) has the molecular formula C10H20N8 and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID83027620
Molecular FormulaC10H20N8
Molecular Weight252.33 g/mol
Exact Mass252.18
IUPAC Name2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCN1CCN(Nc2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C10H20N8/c1-16(2)10-13-8(11)12-9(14-10)15-18-6-4-17(3)5-7-18/h4-7H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyPBADDILZUJLKRJ-UHFFFAOYSA-N
XLogP-0.91
TPSA86.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine (CID 83027620) is 2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine is CN1CCN(Nc2nc(N)nc(N(C)C)n2)CC1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PBADDILZUJLKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N8/c1-16(2)10-13-8(11)12-9(14-10)15-18-6-4-17(3)5-7-18/h4-7H2,1-3H3,(H3,11,12,13,14,15).
What are the key properties of 2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 252.33 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 83027620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).