6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid

C6H6ClN3O2S — CID 83872138

IUPAC6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid
SMILESCSc1nc(N)c(Cl)c(C(=O)O)n1
InChIInChI=1S/C6H6ClN3O2S/c1-13-6-9-3(5(11)12)2(7)4(8)10-6/h1H3,(H,11,12)(H2,8,9,10)
InChIKeyHVSHTNAHQJSCBT-UHFFFAOYSA-N
MW219.65 g/mol
LogP1.13
Rot. Bonds2

About 6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid

6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid (PubChem CID 83872138) has the molecular formula C6H6ClN3O2S and a molecular weight of 219.65 g/mol. Its IUPAC name is 6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid
PubChem CID83872138
Molecular FormulaC6H6ClN3O2S
Molecular Weight219.65 g/mol
Exact Mass218.99
IUPAC Name6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid
SMILESCSc1nc(N)c(Cl)c(C(=O)O)n1
InChIInChI=1S/C6H6ClN3O2S/c1-13-6-9-3(5(11)12)2(7)4(8)10-6/h1H3,(H,11,12)(H2,8,9,10)
InChIKeyHVSHTNAHQJSCBT-UHFFFAOYSA-N
XLogP1.13
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid (CID 83872138) is 6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid is CSc1nc(N)c(Cl)c(C(=O)O)n1.
What is the InChIKey of 6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid?
The InChIKey is HVSHTNAHQJSCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2S/c1-13-6-9-3(5(11)12)2(7)4(8)10-6/h1H3,(H,11,12)(H2,8,9,10).
What are the key properties of 6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid?
6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid has a molecular weight of 219.65 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83872138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).