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

C13H23N5O3 — CID 80783468

IUPACmethyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
SMILESCCCNc1nc(NC(C)C(=O)OC)nc(OC(C)C)n1
InChIInChI=1S/C13H23N5O3/c1-6-7-14-11-16-12(15-9(4)10(19)20-5)18-13(17-11)21-8(2)3/h8-9H,6-7H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyJJSGNVLEKBHKEO-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.45
Rot. Bonds8

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

methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate (PubChem CID 80783468) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
PubChem CID80783468
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Namemethyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
SMILESCCCNc1nc(NC(C)C(=O)OC)nc(OC(C)C)n1
InChIInChI=1S/C13H23N5O3/c1-6-7-14-11-16-12(15-9(4)10(19)20-5)18-13(17-11)21-8(2)3/h8-9H,6-7H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyJJSGNVLEKBHKEO-UHFFFAOYSA-N
XLogP1.45
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 106178974
2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80794931
2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780133
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80753941
ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate
CID 80897794
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 80818524
3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80905968
2-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80764899
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80787461
2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea
CID 83117573
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780126
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215694

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate?
The IUPAC name of methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate (CID 80783468) is methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate.
What is the SMILES notation for methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate?
The canonical SMILES for methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate is CCCNc1nc(NC(C)C(=O)OC)nc(OC(C)C)n1.
What is the InChIKey of methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate?
The InChIKey is JJSGNVLEKBHKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-6-7-14-11-16-12(15-9(4)10(19)20-5)18-13(17-11)21-8(2)3/h8-9H,6-7H2,1-5H3,(H2,14,15,16,17,18).
What are the key properties of methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate?
methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate has a molecular weight of 297.36 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate is sourced from PubChem (CID 80783468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).