6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid

C8H11N3O2S — CID 83852290

IUPAC6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
SMILESCSc1nc(C(=O)O)cc(N(C)C)n1
InChIInChI=1S/C8H11N3O2S/c1-11(2)6-4-5(7(12)13)9-8(10-6)14-3/h4H,1-3H3,(H,12,13)
InChIKeyCPOHPIGJMKIONX-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.96
Rot. Bonds3

About 6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid

6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid (PubChem CID 83852290) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
PubChem CID83852290
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
SMILESCSc1nc(C(=O)O)cc(N(C)C)n1
InChIInChI=1S/C8H11N3O2S/c1-11(2)6-4-5(7(12)13)9-8(10-6)14-3/h4H,1-3H3,(H,12,13)
InChIKeyCPOHPIGJMKIONX-UHFFFAOYSA-N
XLogP0.96
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid (CID 83852290) is 6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid is CSc1nc(C(=O)O)cc(N(C)C)n1.
What is the InChIKey of 6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid?
The InChIKey is CPOHPIGJMKIONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-11(2)6-4-5(7(12)13)9-8(10-6)14-3/h4H,1-3H3,(H,12,13).
What are the key properties of 6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid?
6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83852290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).