methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate

C13H23N5O3 — CID 80775157

IUPACmethyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
SMILESCCCNc1nc(NCCC(=O)OC)nc(OCCC)n1
InChIInChI=1S/C13H23N5O3/c1-4-7-14-11-16-12(15-8-6-10(19)20-3)18-13(17-11)21-9-5-2/h4-9H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyOSOGKBVFEBZUSO-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.46
Rot. Bonds10

About methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate

methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate (PubChem CID 80775157) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
PubChem CID80775157
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Namemethyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
SMILESCCCNc1nc(NCCC(=O)OC)nc(OCCC)n1
InChIInChI=1S/C13H23N5O3/c1-4-7-14-11-16-12(15-8-6-10(19)20-3)18-13(17-11)21-9-5-2/h4-9H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyOSOGKBVFEBZUSO-UHFFFAOYSA-N
XLogP1.46
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate with MolForge

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Related Compounds

methyl 3-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]propanoate
CID 80885613
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 62863465
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80871739
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 83180143
2-N-(3,3-dimethylbutan-2-yl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 104830619
2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773091
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215694
4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80876867

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate?
The IUPAC name of methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate (CID 80775157) is methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate is CCCNc1nc(NCCC(=O)OC)nc(OCCC)n1.
What is the InChIKey of methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate?
The InChIKey is OSOGKBVFEBZUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-4-7-14-11-16-12(15-8-6-10(19)20-3)18-13(17-11)21-9-5-2/h4-9H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate?
methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate has a molecular weight of 297.36 g/mol, XLogP of 1.46, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate is sourced from PubChem (CID 80775157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).