5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one

C13H22N6O2 — CID 80816786

IUPAC5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
SMILESCCCNc1nc(NC2CCC(=O)NC2)nc(OCC)n1
InChIInChI=1S/C13H22N6O2/c1-3-7-14-11-17-12(19-13(18-11)21-4-2)16-9-5-6-10(20)15-8-9/h9H,3-8H2,1-2H3,(H,15,20)(H2,14,16,17,18,19)
InChIKeyQYSAYOHPIBLOCW-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.78
Rot. Bonds7

About 5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one

5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one (PubChem CID 80816786) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
PubChem CID80816786
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
SMILESCCCNc1nc(NC2CCC(=O)NC2)nc(OCC)n1
InChIInChI=1S/C13H22N6O2/c1-3-7-14-11-17-12(19-13(18-11)21-4-2)16-9-5-6-10(20)15-8-9/h9H,3-8H2,1-2H3,(H,15,20)(H2,14,16,17,18,19)
InChIKeyQYSAYOHPIBLOCW-UHFFFAOYSA-N
XLogP0.78
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one with MolForge

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Related Compounds

2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766247
6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 114541934
3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80797059
6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771171
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80816175
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one
CID 80826878
5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80834056
2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80820353
4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80888903
4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one
CID 80817195

Frequently Asked Questions

What is the IUPAC name of 5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
The IUPAC name of 5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one (CID 80816786) is 5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
The canonical SMILES for 5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one is CCCNc1nc(NC2CCC(=O)NC2)nc(OCC)n1.
What is the InChIKey of 5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
The InChIKey is QYSAYOHPIBLOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-3-7-14-11-17-12(19-13(18-11)21-4-2)16-9-5-6-10(20)15-8-9/h9H,3-8H2,1-2H3,(H,15,20)(H2,14,16,17,18,19).
What are the key properties of 5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one has a molecular weight of 294.36 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one is sourced from PubChem (CID 80816786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).