ethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate

C12H11N3O3 — CID 2745857

IUPACethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C12H11N3O3/c1-2-18-12(17)8-7-14-10(15-11(8)16)9-5-3-4-6-13-9/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyJGPXJFJTKJTIFZ-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.01
Rot. Bonds3

About ethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate

ethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate (PubChem CID 2745857) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is ethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate
PubChem CID2745857
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Nameethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C12H11N3O3/c1-2-18-12(17)8-7-14-10(15-11(8)16)9-5-3-4-6-13-9/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyJGPXJFJTKJTIFZ-UHFFFAOYSA-N
XLogP1.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methyl-2-(pyridin-2-yl)pyrimidin-4-ol
CID 135472985
5-(cyclopropylmethyl)-4-(methoxymethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 135418960
Ethyl 1,6-dihydro-6-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]-5-pyrimidinecarboxylate
CID 2745941
2-oxo-N-(pyridin-2-ylmethyl)-2H-pyran-5-carboxamide
CID 663113
Ethyl 5-oxo-3-(pyridin-2-yl)-2,5-dihydro-1,2,4-triazine-6-carboxylate
CID 135980014
4-Amino-1,2-Dihydro-2-Oxo-1,8-Naphthyridine-3-Carboxylic Acid Ethyl Ester
CID 12818603
Ethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 12818614
1-Allyl-4-amino-1,2-dihydro-2-oxo-1,8-naphthyridine-3-carboxylic acid ethyl ester
CID 12818621
4-Amino-1-ethyl-1,2-dihydro-2-oxo-1,8-naphthyridine-3-carboxylic acid ethyl ester
CID 12818632
4-(methoxymethyl)-2-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrimidin-6-one
CID 135415772
Ethyl 2-oxo-1,2-dihydro-1,7-naphthyridine-3-carboxylate
CID 12204015
2-Oxo-6-(pyridin-2-yl)-1,2-dihydropyridine-3-carboxylic acid
CID 21548038

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate (CID 2745857) is ethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of ethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate?
The InChIKey is JGPXJFJTKJTIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-2-18-12(17)8-7-14-10(15-11(8)16)9-5-3-4-6-13-9/h3-7H,2H2,1H3,(H,14,15,16).
What are the key properties of ethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate?
ethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate has a molecular weight of 245.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2745857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).