4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid

C9H10N2O3S — CID 105483843

IUPAC4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)nc2c1CCSC2
InChIInChI=1S/C9H10N2O3S/c1-14-8-5-2-3-15-4-6(5)10-7(11-8)9(12)13/h2-4H2,1H3,(H,12,13)
InChIKeyBYSLCQUHRVZDMW-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.97
Rot. Bonds2

About 4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid

4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid (PubChem CID 105483843) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid
PubChem CID105483843
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)nc2c1CCSC2
InChIInChI=1S/C9H10N2O3S/c1-14-8-5-2-3-15-4-6(5)10-7(11-8)9(12)13/h2-4H2,1H3,(H,12,13)
InChIKeyBYSLCQUHRVZDMW-UHFFFAOYSA-N
XLogP0.97
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid (CID 105483843) is 4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid is COc1nc(C(=O)O)nc2c1CCSC2.
What is the InChIKey of 4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid?
The InChIKey is BYSLCQUHRVZDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-14-8-5-2-3-15-4-6(5)10-7(11-8)9(12)13/h2-4H2,1H3,(H,12,13).
What are the key properties of 4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid?
4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid has a molecular weight of 226.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 105483843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).