1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one

C18H32N6O — CID 170243899

IUPAC1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one
SMILESCC(=O)CN(C)c1nc(CC(C)C)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C18H32N6O/c1-13(2)11-16-19-17(22(6)12-15(5)25)21-18(20-16)24-9-7-23(8-10-24)14(3)4/h13-14H,7-12H2,1-6H3
InChIKeyGYJBIHMOWTUIAK-UHFFFAOYSA-N
MW348.50 g/mol
LogP1.63
Rot. Bonds7

About 1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one

1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one (PubChem CID 170243899) has the molecular formula C18H32N6O and a molecular weight of 348.50 g/mol. Its IUPAC name is 1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one.

Molecular Properties

Compound Name1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one
PubChem CID170243899
Molecular FormulaC18H32N6O
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC Name1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one
SMILESCC(=O)CN(C)c1nc(CC(C)C)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C18H32N6O/c1-13(2)11-16-19-17(22(6)12-15(5)25)21-18(20-16)24-9-7-23(8-10-24)14(3)4/h13-14H,7-12H2,1-6H3
InChIKeyGYJBIHMOWTUIAK-UHFFFAOYSA-N
XLogP1.63
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one?
The IUPAC name of 1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one (CID 170243899) is 1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one.
What is the SMILES notation for 1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one?
The canonical SMILES for 1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one is CC(=O)CN(C)c1nc(CC(C)C)nc(N2CCN(C(C)C)CC2)n1.
What is the InChIKey of 1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one?
The InChIKey is GYJBIHMOWTUIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O/c1-13(2)11-16-19-17(22(6)12-15(5)25)21-18(20-16)24-9-7-23(8-10-24)14(3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of 1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one?
1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one has a molecular weight of 348.50 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one is sourced from PubChem (CID 170243899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).