methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate

C12H12N4O2S — CID 114409595

IUPACmethyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Sc2nccc(C)n2)n1
InChIInChI=1S/C12H12N4O2S/c1-7-5-6-14-12(15-7)19-10-8(13)3-4-9(16-10)11(17)18-2/h3-6H,13H2,1-2H3
InChIKeyZWEYNLUJOJATIP-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.70
Rot. Bonds3

About methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate

methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate (PubChem CID 114409595) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate
PubChem CID114409595
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Namemethyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Sc2nccc(C)n2)n1
InChIInChI=1S/C12H12N4O2S/c1-7-5-6-14-12(15-7)19-10-8(13)3-4-9(16-10)11(17)18-2/h3-6H,13H2,1-2H3
InChIKeyZWEYNLUJOJATIP-UHFFFAOYSA-N
XLogP1.70
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-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

methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate
CID 114409662
methyl 5-amino-6-(3-hydroxypropylsulfanyl)pyridine-2-carboxylate
CID 114409757
methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate
CID 114409779
methyl 5-amino-6-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboxylate
CID 114409353
2-methyl-3-(4-methylpyrimidin-2-yl)sulfanylaniline
CID 63061556
methyl 5-amino-6-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylate
CID 114409654
methyl 5-amino-6-iodopyridine-2-carboxylate
CID 53485922
methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate
CID 114409394
2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80892419
methyl 4-aminopyridine-2-carboxylate
CID 3759117
6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid
CID 107555192
6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80891671

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate (CID 114409595) is methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate is COC(=O)c1ccc(N)c(Sc2nccc(C)n2)n1.
What is the InChIKey of methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate?
The InChIKey is ZWEYNLUJOJATIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-7-5-6-14-12(15-7)19-10-8(13)3-4-9(16-10)11(17)18-2/h3-6H,13H2,1-2H3.
What are the key properties of methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate?
methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate has a molecular weight of 276.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate is sourced from PubChem (CID 114409595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).