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

C11H18N4O3S — CID 80885885

IUPACmethyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate
SMILESCNc1nc(OC(C)C)nc(SCCC(=O)OC)n1
InChIInChI=1S/C11H18N4O3S/c1-7(2)18-10-13-9(12-3)14-11(15-10)19-6-5-8(16)17-4/h7H,5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyRDTPBUDJSALSSC-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.36
Rot. Bonds7

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

methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate (PubChem CID 80885885) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate
PubChem CID80885885
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Namemethyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate
SMILESCNc1nc(OC(C)C)nc(SCCC(=O)OC)n1
InChIInChI=1S/C11H18N4O3S/c1-7(2)18-10-13-9(12-3)14-11(15-10)19-6-5-8(16)17-4/h7H,5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyRDTPBUDJSALSSC-UHFFFAOYSA-N
XLogP1.36
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80886619
3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
CID 80890838
4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80889092
methyl 3-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]propanoate
CID 80885613
methyl 3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate
CID 40669544
4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine
CID 80883434
methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80886259
4-methoxy-N-methyl-6-propylsulfanyl-1,3,5-triazin-2-amine
CID 80886919
N,N-dimethyl-2-[methyl-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80780568
4-(1-methoxypropan-2-yloxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80880228
4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 80883876
N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107765332

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate?
The IUPAC name of methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate (CID 80885885) is methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate.
What is the SMILES notation for methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate?
The canonical SMILES for methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate is CNc1nc(OC(C)C)nc(SCCC(=O)OC)n1.
What is the InChIKey of methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate?
The InChIKey is RDTPBUDJSALSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-7(2)18-10-13-9(12-3)14-11(15-10)19-6-5-8(16)17-4/h7H,5-6H2,1-4H3,(H,12,13,14,15).
What are the key properties of methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate?
methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate has a molecular weight of 286.36 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate is sourced from PubChem (CID 80885885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).