ethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate

C9H14N2O4 — CID 70150893

IUPACethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate
SMILESCCOC(=O)CC1(O)NC=C(C)C(=O)N1
InChIInChI=1S/C9H14N2O4/c1-3-15-7(12)4-9(14)10-5-6(2)8(13)11-9/h5,10,14H,3-4H2,1-2H3,(H,11,13)
InChIKeySWQRLFZSMOLVPV-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.79
Rot. Bonds3

About ethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate

ethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate (PubChem CID 70150893) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate
PubChem CID70150893
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Nameethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate
SMILESCCOC(=O)CC1(O)NC=C(C)C(=O)N1
InChIInChI=1S/C9H14N2O4/c1-3-15-7(12)4-9(14)10-5-6(2)8(13)11-9/h5,10,14H,3-4H2,1-2H3,(H,11,13)
InChIKeySWQRLFZSMOLVPV-UHFFFAOYSA-N
XLogP-0.79
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate?
The IUPAC name of ethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate (CID 70150893) is ethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate is CCOC(=O)CC1(O)NC=C(C)C(=O)N1.
What is the InChIKey of ethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate?
The InChIKey is SWQRLFZSMOLVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-3-15-7(12)4-9(14)10-5-6(2)8(13)11-9/h5,10,14H,3-4H2,1-2H3,(H,11,13).
What are the key properties of ethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate?
ethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate has a molecular weight of 214.22 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxy-5-methyl-4-oxo-1,3-dihydropyrimidin-2-yl)acetate is sourced from PubChem (CID 70150893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).