methyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate

C14H14N2O5 — CID 14975416

IUPACmethyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(OCCO)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C14H14N2O5/c1-20-14(19)10-12(18)15-11(9-5-3-2-4-6-9)16-13(10)21-8-7-17/h2-6,17H,7-8H2,1H3,(H,15,16,18)
InChIKeyJYPBGHKIPKBYPC-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.59
Rot. Bonds5

About methyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate

methyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate (PubChem CID 14975416) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is methyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate
PubChem CID14975416
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Namemethyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(OCCO)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C14H14N2O5/c1-20-14(19)10-12(18)15-11(9-5-3-2-4-6-9)16-13(10)21-8-7-17/h2-6,17H,7-8H2,1H3,(H,15,16,18)
InChIKeyJYPBGHKIPKBYPC-UHFFFAOYSA-N
XLogP0.59
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate (CID 14975416) is methyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate is COC(=O)c1c(OCCO)nc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of methyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate?
The InChIKey is JYPBGHKIPKBYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-20-14(19)10-12(18)15-11(9-5-3-2-4-6-9)16-13(10)21-8-7-17/h2-6,17H,7-8H2,1H3,(H,15,16,18).
What are the key properties of methyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate?
methyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate has a molecular weight of 290.28 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-hydroxyethoxy)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 14975416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).