methyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate

C15H12N2O4 — CID 58101083

IUPACmethyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1O)CC(c1ccccc1)=C2
InChIInChI=1S/C15H12N2O4/c1-21-15(20)12-13(18)14(19)17-8-10(7-11(17)16-12)9-5-3-2-4-6-9/h2-7,18H,8H2,1H3
InChIKeyLNAFNPFAWYZUFO-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.29
Rot. Bonds2

About methyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate

methyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate (PubChem CID 58101083) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is methyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate
PubChem CID58101083
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Namemethyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1O)CC(c1ccccc1)=C2
InChIInChI=1S/C15H12N2O4/c1-21-15(20)12-13(18)14(19)17-8-10(7-11(17)16-12)9-5-3-2-4-6-9/h2-7,18H,8H2,1H3
InChIKeyLNAFNPFAWYZUFO-UHFFFAOYSA-N
XLogP1.29
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate (CID 58101083) is methyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2n(c(=O)c1O)CC(c1ccccc1)=C2.
What is the InChIKey of methyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is LNAFNPFAWYZUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-21-15(20)12-13(18)14(19)17-8-10(7-11(17)16-12)9-5-3-2-4-6-9/h2-7,18H,8H2,1H3.
What are the key properties of methyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate?
methyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 58101083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).