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

C13H22N6O2 — CID 80817195

IUPAC4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one
SMILESCCCNc1nc(OCC)nc(N2CCNC(=O)C2C)n1
InChIInChI=1S/C13H22N6O2/c1-4-6-15-11-16-12(18-13(17-11)21-5-2)19-8-7-14-10(20)9(19)3/h9H,4-8H2,1-3H3,(H,14,20)(H,15,16,17,18)
InChIKeyORSSUYLKJRANRN-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.42
Rot. Bonds6

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

4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one (PubChem CID 80817195) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one
PubChem CID80817195
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one
SMILESCCCNc1nc(OCC)nc(N2CCNC(=O)C2C)n1
InChIInChI=1S/C13H22N6O2/c1-4-6-15-11-16-12(18-13(17-11)21-5-2)19-8-7-14-10(20)9(19)3/h9H,4-8H2,1-3H3,(H,14,20)(H,15,16,17,18)
InChIKeyORSSUYLKJRANRN-UHFFFAOYSA-N
XLogP0.42
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80797059
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
CID 80774756
4-ethoxy-6-(4-ethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80780550
3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one
CID 113367834
4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one
CID 55215774
4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one
CID 63608002
4-ethoxy-6-(2-ethylmorpholin-4-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80773813
5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80816786
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80770559
4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione
CID 80850816
2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 114802906

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one (CID 80817195) is 4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one is CCCNc1nc(OCC)nc(N2CCNC(=O)C2C)n1.
What is the InChIKey of 4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one?
The InChIKey is ORSSUYLKJRANRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-4-6-15-11-16-12(18-13(17-11)21-5-2)19-8-7-14-10(20)9(19)3/h9H,4-8H2,1-3H3,(H,14,20)(H,15,16,17,18).
What are the key properties of 4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one?
4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one has a molecular weight of 294.36 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one is sourced from PubChem (CID 80817195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).