ethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate

C19H17N3O2 — CID 11347731

IUPACethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ncccn2)cc(-c2ccccc2)nc1C
InChIInChI=1S/C19H17N3O2/c1-3-24-19(23)17-13(2)22-16(14-8-5-4-6-9-14)12-15(17)18-20-10-7-11-21-18/h4-12H,3H2,1-2H3
InChIKeyPVTZKINVMDBYGI-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.69
Rot. Bonds4

About ethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate

ethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate (PubChem CID 11347731) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate
PubChem CID11347731
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Nameethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ncccn2)cc(-c2ccccc2)nc1C
InChIInChI=1S/C19H17N3O2/c1-3-24-19(23)17-13(2)22-16(14-8-5-4-6-9-14)12-15(17)18-20-10-7-11-21-18/h4-12H,3H2,1-2H3
InChIKeyPVTZKINVMDBYGI-UHFFFAOYSA-N
XLogP3.69
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate (CID 11347731) is ethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ncccn2)cc(-c2ccccc2)nc1C.
What is the InChIKey of ethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate?
The InChIKey is PVTZKINVMDBYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-3-24-19(23)17-13(2)22-16(14-8-5-4-6-9-14)12-15(17)18-20-10-7-11-21-18/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate?
ethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-phenyl-4-pyrimidin-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 11347731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).