6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C13H25N7 — CID 80825190

IUPAC6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)N1CCN(c2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C13H25N7/c1-5-10(2)19-6-8-20(9-7-19)13-16-11(14)15-12(17-13)18(3)4/h10H,5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyUCLRRXPMHCHJHZ-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.44
Rot. Bonds4

About 6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80825190) has the molecular formula C13H25N7 and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80825190
Molecular FormulaC13H25N7
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC Name6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)N1CCN(c2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C13H25N7/c1-5-10(2)19-6-8-20(9-7-19)13-16-11(14)15-12(17-13)18(3)4/h10H,5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyUCLRRXPMHCHJHZ-UHFFFAOYSA-N
XLogP0.44
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-(4-butan-2-ylpiperazin-1-yl)-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine
CID 146106372
4-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 27396187
6-(4,4-dimethylpiperidin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80823755
3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66274506
4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784659
6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 80824437
4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80832150
4-N-methyl-6-morpholin-4-yl-4-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80793641
6-(4-methoxypiperidin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80783413
6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34600416
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 115988805
4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241

Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80825190) is 6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CCC(C)N1CCN(c2nc(N)nc(N(C)C)n2)CC1.
What is the InChIKey of 6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UCLRRXPMHCHJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N7/c1-5-10(2)19-6-8-20(9-7-19)13-16-11(14)15-12(17-13)18(3)4/h10H,5-9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80825190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).