2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid

C11H12N2O2S — CID 83871633

IUPAC2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(C2CC2)nc2c1CSCC2
InChIInChI=1S/C11H12N2O2S/c14-11(15)9-7-5-16-4-3-8(7)12-10(13-9)6-1-2-6/h6H,1-5H2,(H,14,15)
InChIKeyIPJHUTUDOFGZTD-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.84
Rot. Bonds2

About 2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid

2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid (PubChem CID 83871633) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid
PubChem CID83871633
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(C2CC2)nc2c1CSCC2
InChIInChI=1S/C11H12N2O2S/c14-11(15)9-7-5-16-4-3-8(7)12-10(13-9)6-1-2-6/h6H,1-5H2,(H,14,15)
InChIKeyIPJHUTUDOFGZTD-UHFFFAOYSA-N
XLogP1.84
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid (CID 83871633) is 2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid is O=C(O)c1nc(C2CC2)nc2c1CSCC2.
What is the InChIKey of 2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid?
The InChIKey is IPJHUTUDOFGZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-11(15)9-7-5-16-4-3-8(7)12-10(13-9)6-1-2-6/h6H,1-5H2,(H,14,15).
What are the key properties of 2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid?
2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid has a molecular weight of 236.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83871633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).