4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid

C11H14N2O4S — CID 107753111

IUPAC4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid
SMILESCC1OCCC1S(=O)Cc1ncncc1C(=O)O
InChIInChI=1S/C11H14N2O4S/c1-7-10(2-3-17-7)18(16)5-9-8(11(14)15)4-12-6-13-9/h4,6-7,10H,2-3,5H2,1H3,(H,14,15)
InChIKeyPDGHSZQWYGFARV-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.60
Rot. Bonds4

About 4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid

4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid (PubChem CID 107753111) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid
PubChem CID107753111
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid
SMILESCC1OCCC1S(=O)Cc1ncncc1C(=O)O
InChIInChI=1S/C11H14N2O4S/c1-7-10(2-3-17-7)18(16)5-9-8(11(14)15)4-12-6-13-9/h4,6-7,10H,2-3,5H2,1H3,(H,14,15)
InChIKeyPDGHSZQWYGFARV-UHFFFAOYSA-N
XLogP0.60
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid (CID 107753111) is 4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid is CC1OCCC1S(=O)Cc1ncncc1C(=O)O.
What is the InChIKey of 4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid?
The InChIKey is PDGHSZQWYGFARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-7-10(2-3-17-7)18(16)5-9-8(11(14)15)4-12-6-13-9/h4,6-7,10H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid?
4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyloxolan-3-yl)sulfinylmethyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 107753111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).