6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid

C10H13N3O2S — CID 83852679

IUPAC6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
SMILESCSc1cc(C(=O)O)nc(N2CCCC2)n1
InChIInChI=1S/C10H13N3O2S/c1-16-8-6-7(9(14)15)11-10(12-8)13-4-2-3-5-13/h6H,2-5H2,1H3,(H,14,15)
InChIKeyFMGFXCNGHYXRII-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.50
Rot. Bonds3

About 6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid

6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid (PubChem CID 83852679) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
PubChem CID83852679
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
SMILESCSc1cc(C(=O)O)nc(N2CCCC2)n1
InChIInChI=1S/C10H13N3O2S/c1-16-8-6-7(9(14)15)11-10(12-8)13-4-2-3-5-13/h6H,2-5H2,1H3,(H,14,15)
InChIKeyFMGFXCNGHYXRII-UHFFFAOYSA-N
XLogP1.50
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid
CID 66490570
6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
CID 83852915
6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid
CID 83852710
6-methylsulfanyl-2-methylsulfonylpyrimidine-4-carboxylic acid
CID 83852802
4-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 83852678
methyl 6-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 87349798
2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 131107872
6-methyl-2-(3-oxo-1,4-diazepan-1-yl)pyrimidine-4-carboxylic acid
CID 114219796
N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321600
6-methylsulfanyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 116862441
2-(3-bromophenyl)-6-methylsulfanylpyrimidine-4-carboxylic acid
CID 116862454
6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid
CID 107553845

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid (CID 83852679) is 6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid is CSc1cc(C(=O)O)nc(N2CCCC2)n1.
What is the InChIKey of 6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid?
The InChIKey is FMGFXCNGHYXRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-16-8-6-7(9(14)15)11-10(12-8)13-4-2-3-5-13/h6H,2-5H2,1H3,(H,14,15).
What are the key properties of 6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid?
6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83852679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).