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

C17H24N6O — CID 164610456

IUPAC4-(4-methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine
SMILESCCC(Oc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H24N6O/c1-3-14(24-13-7-5-4-6-8-13)15-19-16(18)21-17(20-15)23-11-9-22(2)10-12-23/h4-8,14H,3,9-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyRGBWKRQKGURHQM-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.74
Rot. Bonds5

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

4-(4-methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine (PubChem CID 164610456) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine
PubChem CID164610456
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-(4-methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine
SMILESCCC(Oc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H24N6O/c1-3-14(24-13-7-5-4-6-8-13)15-19-16(18)21-17(20-15)23-11-9-22(2)10-12-23/h4-8,14H,3,9-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyRGBWKRQKGURHQM-UHFFFAOYSA-N
XLogP1.74
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine (CID 164610456) is 4-(4-methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine is CCC(Oc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine?
The InChIKey is RGBWKRQKGURHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-14(24-13-7-5-4-6-8-13)15-19-16(18)21-17(20-15)23-11-9-22(2)10-12-23/h4-8,14H,3,9-12H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine?
4-(4-methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine has a molecular weight of 328.42 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 164610456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).