2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid

C9H11N3O2S — CID 138374174

IUPAC2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid
SMILESCSc1ncc2c(n1)CCCN2C(=O)O
InChIInChI=1S/C9H11N3O2S/c1-15-8-10-5-7-6(11-8)3-2-4-12(7)9(13)14/h5H,2-4H2,1H3,(H,13,14)
InChIKeyGARZSODSNXURKS-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.63
Rot. Bonds1

About 2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid

2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid (PubChem CID 138374174) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid
PubChem CID138374174
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid
SMILESCSc1ncc2c(n1)CCCN2C(=O)O
InChIInChI=1S/C9H11N3O2S/c1-15-8-10-5-7-6(11-8)3-2-4-12(7)9(13)14/h5H,2-4H2,1H3,(H,13,14)
InChIKeyGARZSODSNXURKS-UHFFFAOYSA-N
XLogP1.63
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid (CID 138374174) is 2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid is CSc1ncc2c(n1)CCCN2C(=O)O.
What is the InChIKey of 2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid?
The InChIKey is GARZSODSNXURKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-15-8-10-5-7-6(11-8)3-2-4-12(7)9(13)14/h5H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid?
2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 138374174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).