ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium

C13H11N2O2Y- — CID 134840915

IUPACethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium
SMILESCCOC(=O)c1cc(-c2ccccc2)n[c-]n1.[Y]
InChIInChI=1S/C13H11N2O2.Y/c1-2-17-13(16)12-8-11(14-9-15-12)10-6-4-3-5-7-10;/h3-8H,2H2,1H3;/q-1;
InChIKeyYIVKFCLKHARVTO-UHFFFAOYSA-N
MW316.15 g/mol
LogP2.12
Rot. Bonds3

About ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium

ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium (PubChem CID 134840915) has the molecular formula C13H11N2O2Y- and a molecular weight of 316.15 g/mol. Its IUPAC name is ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium.

Molecular Properties

Compound Nameethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium
PubChem CID134840915
Molecular FormulaC13H11N2O2Y-
Molecular Weight316.15 g/mol
Exact Mass315.99
IUPAC Nameethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium
SMILESCCOC(=O)c1cc(-c2ccccc2)n[c-]n1.[Y]
InChIInChI=1S/C13H11N2O2.Y/c1-2-17-13(16)12-8-11(14-9-15-12)10-6-4-3-5-7-10;/h3-8H,2H2,1H3;/q-1;
InChIKeyYIVKFCLKHARVTO-UHFFFAOYSA-N
XLogP2.12
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 143874733
ethyl 6-pyridin-4-ylpyrimidine-4-carboxylate
CID 122239334
ethyl pyridine-2-carboxylate
CID 17307
ethyl 8-methyl-2-phenylquinoline-6-carboxylate
CID 164676553
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070
ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate
CID 134940968
ethyl 2-phenylpyrazolo[1,5-a]pyridine-5-carboxylate
CID 46223052
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559

Frequently Asked Questions

What is the IUPAC name of ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium?
The IUPAC name of ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium (CID 134840915) is ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium.
What is the SMILES notation for ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium?
The canonical SMILES for ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium is CCOC(=O)c1cc(-c2ccccc2)n[c-]n1.[Y].
What is the InChIKey of ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium?
The InChIKey is YIVKFCLKHARVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2O2.Y/c1-2-17-13(16)12-8-11(14-9-15-12)10-6-4-3-5-7-10;/h3-8H,2H2,1H3;/q-1;.
What are the key properties of ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium?
ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium has a molecular weight of 316.15 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium is sourced from PubChem (CID 134840915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).