methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate

C11H10N4O2S — CID 114195751

IUPACmethyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1Sc1ncccn1
InChIInChI=1S/C11H10N4O2S/c1-17-10(16)7-5-9(12)15-6-8(7)18-11-13-3-2-4-14-11/h2-6H,1H3,(H2,12,15)
InChIKeyOFUNIIKVEMKCNR-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.39
Rot. Bonds3

About methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate

methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate (PubChem CID 114195751) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate
PubChem CID114195751
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Namemethyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1Sc1ncccn1
InChIInChI=1S/C11H10N4O2S/c1-17-10(16)7-5-9(12)15-6-8(7)18-11-13-3-2-4-14-11/h2-6H,1H3,(H2,12,15)
InChIKeyOFUNIIKVEMKCNR-UHFFFAOYSA-N
XLogP1.39
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate (CID 114195751) is methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate is COC(=O)c1cc(N)ncc1Sc1ncccn1.
What is the InChIKey of methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate?
The InChIKey is OFUNIIKVEMKCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-17-10(16)7-5-9(12)15-6-8(7)18-11-13-3-2-4-14-11/h2-6H,1H3,(H2,12,15).
What are the key properties of methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate?
methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate has a molecular weight of 262.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate is sourced from PubChem (CID 114195751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).