ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate

C10H14N2O4 — CID 171865570

IUPACethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate
SMILESCCOC(=O)C(O)C(O)c1nccc(C)n1
InChIInChI=1S/C10H14N2O4/c1-3-16-10(15)8(14)7(13)9-11-5-4-6(2)12-9/h4-5,7-8,13-14H,3H2,1-2H3
InChIKeySOMFFINEFASQDQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.26
Rot. Bonds4

About ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate

ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate (PubChem CID 171865570) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate
PubChem CID171865570
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate
SMILESCCOC(=O)C(O)C(O)c1nccc(C)n1
InChIInChI=1S/C10H14N2O4/c1-3-16-10(15)8(14)7(13)9-11-5-4-6(2)12-9/h4-5,7-8,13-14H,3H2,1-2H3
InChIKeySOMFFINEFASQDQ-UHFFFAOYSA-N
XLogP-0.26
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoic acid
CID 170823438
ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865781
1-(4-methylpyrimidin-2-yl)butan-1-amine
CID 63320980
(1R)-1-(4-methylpyrimidin-2-yl)ethanol
CID 162078577
ethyl 2,3-dihydroxy-3-(2-methylsulfanylphenyl)propanoate
CID 171865642
ethyl 2-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylacetate
CID 79357158
ethyl 3-(2-ethylphenyl)-2,3-dihydroxypropanoate
CID 171865666
ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
CID 118141576
ethyl 2,3-dihydroxy-3-(2-sulfanylphenyl)propanoate
CID 171865532
2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid
CID 171866199
ethyl 2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoate
CID 171867144
6-chloro-3-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-2-carboxylic acid
CID 171866522

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate?
The IUPAC name of ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate (CID 171865570) is ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate.
What is the SMILES notation for ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate?
The canonical SMILES for ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate is CCOC(=O)C(O)C(O)c1nccc(C)n1.
What is the InChIKey of ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate?
The InChIKey is SOMFFINEFASQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-16-10(15)8(14)7(13)9-11-5-4-6(2)12-9/h4-5,7-8,13-14H,3H2,1-2H3.
What are the key properties of ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate?
ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate has a molecular weight of 226.23 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate is sourced from PubChem (CID 171865570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).