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

C7H9N3O2S — CID 83872051

IUPAC6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
SMILESCNc1cc(C(=O)O)nc(SC)n1
InChIInChI=1S/C7H9N3O2S/c1-8-5-3-4(6(11)12)9-7(10-5)13-2/h3H,1-2H3,(H,11,12)(H,8,9,10)
InChIKeyNYBBDFKUIKCLPM-UHFFFAOYSA-N
MW199.24 g/mol
LogP0.94
Rot. Bonds3

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

6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid (PubChem CID 83872051) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is 6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
PubChem CID83872051
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC Name6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
SMILESCNc1cc(C(=O)O)nc(SC)n1
InChIInChI=1S/C7H9N3O2S/c1-8-5-3-4(6(11)12)9-7(10-5)13-2/h3H,1-2H3,(H,11,12)(H,8,9,10)
InChIKeyNYBBDFKUIKCLPM-UHFFFAOYSA-N
XLogP0.94
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83872056
2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid
CID 22250300
6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83852290
N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide
CID 80783801
N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80788462
4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide
CID 80791948
6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 82169719
methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
CID 80798105
ethane;N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 90766757
N-methyl-6-(methylaminomethyl)-2-methylsulfanylpyrimidin-4-amine
CID 83872054
1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol
CID 80763962
2-(3,4-dichlorophenyl)-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169696

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid (CID 83872051) is 6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid is CNc1cc(C(=O)O)nc(SC)n1.
What is the InChIKey of 6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid?
The InChIKey is NYBBDFKUIKCLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-8-5-3-4(6(11)12)9-7(10-5)13-2/h3H,1-2H3,(H,11,12)(H,8,9,10).
What are the key properties of 6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid?
6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid has a molecular weight of 199.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83872051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).