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

C13H22N6O2 — CID 80797059

IUPAC3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
SMILESCCCNc1nc(NC2CCCNC2=O)nc(OCC)n1
InChIInChI=1S/C13H22N6O2/c1-3-7-15-11-17-12(19-13(18-11)21-4-2)16-9-6-5-8-14-10(9)20/h9H,3-8H2,1-2H3,(H,14,20)(H2,15,16,17,18,19)
InChIKeyQXWNYSSJPRMWLN-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.78
Rot. Bonds7

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

3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one (PubChem CID 80797059) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
PubChem CID80797059
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
SMILESCCCNc1nc(NC2CCCNC2=O)nc(OCC)n1
InChIInChI=1S/C13H22N6O2/c1-3-7-15-11-17-12(19-13(18-11)21-4-2)16-9-6-5-8-14-10(9)20/h9H,3-8H2,1-2H3,(H,14,20)(H2,15,16,17,18,19)
InChIKeyQXWNYSSJPRMWLN-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 3-[[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
5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80816786
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one
CID 80817195
6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771171
6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 114541934
2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80820353
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one
CID 102757774
2-[[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80831703
3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]piperidin-2-one
CID 55125053
4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80888903

Frequently Asked Questions

What is the IUPAC name of 3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
The IUPAC name of 3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one (CID 80797059) is 3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
The canonical SMILES for 3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one is CCCNc1nc(NC2CCCNC2=O)nc(OCC)n1.
What is the InChIKey of 3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
The InChIKey is QXWNYSSJPRMWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-3-7-15-11-17-12(19-13(18-11)21-4-2)16-9-6-5-8-14-10(9)20/h9H,3-8H2,1-2H3,(H,14,20)(H2,15,16,17,18,19).
What are the key properties of 3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
3-[[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 3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one is sourced from PubChem (CID 80797059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).