ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate

C12H12N4O3S — CID 136919468

IUPACethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Sc2nc(N)cc(=O)[nH]2)nc1
InChIInChI=1S/C12H12N4O3S/c1-2-19-11(18)7-3-4-10(14-6-7)20-12-15-8(13)5-9(17)16-12/h3-6H,2H2,1H3,(H3,13,15,16,17)
InChIKeyMTDCCLDWQIWNEB-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.08
Rot. Bonds4

About ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate

ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate (PubChem CID 136919468) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate
PubChem CID136919468
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Nameethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Sc2nc(N)cc(=O)[nH]2)nc1
InChIInChI=1S/C12H12N4O3S/c1-2-19-11(18)7-3-4-10(14-6-7)20-12-15-8(13)5-9(17)16-12/h3-6H,2H2,1H3,(H3,13,15,16,17)
InChIKeyMTDCCLDWQIWNEB-UHFFFAOYSA-N
XLogP1.08
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-[3-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-oxopropyl]pyridine-3-carboxylate
CID 158722683
ethyl 5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzoate
CID 135970719
ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate
CID 114075140
ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate
CID 62028773
ethyl 6-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate
CID 32800632
5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide
CID 136948162
ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate
CID 103613540
ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate
CID 103613543
ethyl 4-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-oxobutanoate
CID 135450758
ethyl 6-cyclopentylsulfanylpyridine-3-carboxylate
CID 103613537
ethyl 4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate
CID 136684553
4-amino-2-(6-bromo-2-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 137010439

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate (CID 136919468) is ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate is CCOC(=O)c1ccc(Sc2nc(N)cc(=O)[nH]2)nc1.
What is the InChIKey of ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate?
The InChIKey is MTDCCLDWQIWNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-2-19-11(18)7-3-4-10(14-6-7)20-12-15-8(13)5-9(17)16-12/h3-6H,2H2,1H3,(H3,13,15,16,17).
What are the key properties of ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate?
ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate has a molecular weight of 292.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate is sourced from PubChem (CID 136919468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).