methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate

C11H18N4O2S — CID 80801920

IUPACmethyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
SMILESCCNc1cc(NC(C)C(=O)OC)nc(SC)n1
InChIInChI=1S/C11H18N4O2S/c1-5-12-8-6-9(15-11(14-8)18-4)13-7(2)10(16)17-3/h6-7H,5H2,1-4H3,(H2,12,13,14,15)
InChIKeyARPLQSAVMMKJHX-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.60
Rot. Bonds6

About methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate

methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate (PubChem CID 80801920) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
PubChem CID80801920
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Namemethyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
SMILESCCNc1cc(NC(C)C(=O)OC)nc(SC)n1
InChIInChI=1S/C11H18N4O2S/c1-5-12-8-6-9(15-11(14-8)18-4)13-7(2)10(16)17-3/h6-7H,5H2,1-4H3,(H2,12,13,14,15)
InChIKeyARPLQSAVMMKJHX-UHFFFAOYSA-N
XLogP1.60
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate with MolForge

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Related Compounds

methyl 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80961777
methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 102717921
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841763
methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80961991
methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80955368
methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947630
2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80896872
methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate
CID 80935382
2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol
CID 80765964
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80967066
1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol
CID 113493058
1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80851642

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate?
The IUPAC name of methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate (CID 80801920) is methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate.
What is the SMILES notation for methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate?
The canonical SMILES for methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate is CCNc1cc(NC(C)C(=O)OC)nc(SC)n1.
What is the InChIKey of methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate?
The InChIKey is ARPLQSAVMMKJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-5-12-8-6-9(15-11(14-8)18-4)13-7(2)10(16)17-3/h6-7H,5H2,1-4H3,(H2,12,13,14,15).
What are the key properties of methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate?
methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate has a molecular weight of 270.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate is sourced from PubChem (CID 80801920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).