4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C13H24N6 — CID 155546701

IUPAC4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(CC(C)(C)C)n2)CC1
InChIInChI=1S/C13H24N6/c1-13(2,3)9-10-15-11(14)17-12(16-10)19-7-5-18(4)6-8-19/h5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyVKQRAIYUZGZBBC-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.79
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 155546701) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID155546701
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(CC(C)(C)C)n2)CC1
InChIInChI=1S/C13H24N6/c1-13(2,3)9-10-15-11(14)17-12(16-10)19-7-5-18(4)6-8-19/h5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyVKQRAIYUZGZBBC-UHFFFAOYSA-N
XLogP0.79
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-amine (10)
CID 121238067
4-Ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 63868172
s-Triazine, 2-amino-4-((4-methyl-1-piperazinyl)methyl)-6-piperidino-
CID 207511
4-Tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 25133970
4-(4-Methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 55251397
4-(4-Methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine
CID 63868328
4-Butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155563489
4-Methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 63868018
1,3,5-Triazin-2-amine, 4-methyl-6-(1-piperidinyl)-
CID 207476
4-(4-Methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine
CID 155568016
Triazine, 2-amino-4-isopropyl-6-piperidino-
CID 207477
2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 17449838

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 155546701) is 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(CC(C)(C)C)n2)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is VKQRAIYUZGZBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-13(2,3)9-10-15-11(14)17-12(16-10)19-7-5-18(4)6-8-19/h5-9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 264.38 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 155546701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).