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

C12H23N7 — CID 75420218

IUPAC6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1CN(C)CCN1Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C12H23N7/c1-9-7-18(4)5-6-19(9)8-10-14-11(13)16-12(15-10)17(2)3/h9H,5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyBYLHXGHCGDEUAR-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.34
Rot. Bonds3

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

6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 75420218) has the molecular formula C12H23N7 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID75420218
Molecular FormulaC12H23N7
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC Name6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1CN(C)CCN1Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C12H23N7/c1-9-7-18(4)5-6-19(9)8-10-14-11(13)16-12(15-10)17(2)3/h9H,5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyBYLHXGHCGDEUAR-UHFFFAOYSA-N
XLogP-0.34
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 75420218) is 6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CC1CN(C)CCN1Cc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BYLHXGHCGDEUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7/c1-9-7-18(4)5-6-19(9)8-10-14-11(13)16-12(15-10)17(2)3/h9H,5-8H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 265.36 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 75420218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).