ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate

C10H15N3O2 — CID 70859663

IUPACethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate
SMILESCCOC(=O)CCc1c(C)ncnc1N
InChIInChI=1S/C10H15N3O2/c1-3-15-9(14)5-4-8-7(2)12-6-13-10(8)11/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyHLIVRXSJLJTCQS-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.86
Rot. Bonds4

About ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate

ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate (PubChem CID 70859663) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate
PubChem CID70859663
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate
SMILESCCOC(=O)CCc1c(C)ncnc1N
InChIInChI=1S/C10H15N3O2/c1-3-15-9(14)5-4-8-7(2)12-6-13-10(8)11/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyHLIVRXSJLJTCQS-UHFFFAOYSA-N
XLogP0.86
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-amino-6-chloropyrimidin-5-yl)methylamino]acetate
CID 119084884
2-(4,6-dimethylpyrimidin-5-yl)acetamide
CID 130683923
ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate
CID 139770420
ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate
CID 80817030
ethyl 3-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]propanoate
CID 71252994
ethyl 3-(2-amino-6-fluorophenyl)propanoate
CID 174546302
ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate
CID 90403348
(2-ethoxy-2-oxoethyl) 3-(4-aminophenyl)propanoate
CID 61314877
ethyl 3-[(6-amino-5-nitropyrimidin-4-yl)amino]propanoate
CID 46705539
ethyl 3-(2-bromo-3-fluoro-6-hydroxyphenyl)propanoate
CID 155580080
ethyl 4-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrazole-3-carboxylate
CID 156825900
ethyl 5-chloro-4-(3-ethoxy-3-oxopropyl)-2-methylquinoline-3-carboxylate
CID 167448688

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate?
The IUPAC name of ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate (CID 70859663) is ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate?
The canonical SMILES for ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate is CCOC(=O)CCc1c(C)ncnc1N.
What is the InChIKey of ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate?
The InChIKey is HLIVRXSJLJTCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-15-9(14)5-4-8-7(2)12-6-13-10(8)11/h6H,3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate?
ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate has a molecular weight of 209.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate is sourced from PubChem (CID 70859663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).