2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde

C8H8N2O2S — CID 83871751

IUPAC2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde
SMILESO=Cc1nc(=O)[nH]c2c1CSCC2
InChIInChI=1S/C8H8N2O2S/c11-3-7-5-4-13-2-1-6(5)9-8(12)10-7/h3H,1-2,4H2,(H,9,10,12)
InChIKeyYCERVBZZPXQZKS-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.37
Rot. Bonds1

About 2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde

2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde (PubChem CID 83871751) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde
PubChem CID83871751
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde
SMILESO=Cc1nc(=O)[nH]c2c1CSCC2
InChIInChI=1S/C8H8N2O2S/c11-3-7-5-4-13-2-1-6(5)9-8(12)10-7/h3H,1-2,4H2,(H,9,10,12)
InChIKeyYCERVBZZPXQZKS-UHFFFAOYSA-N
XLogP0.37
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-oxo-5,6,8,9-tetrahydro-1H-oxepino[4,5-d]pyrimidine-4-carbaldehyde
CID 83862991
6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde
CID 83862948
4-oxo-3,5,6,8-tetrahydrothiopyrano[3,4-d]pyrimidine-2-carbaldehyde
CID 136693551
4-(methylamino)-5,6,8,9-tetrahydro-1H-thiepino[4,5-d]pyrimidin-2-one
CID 83871658
2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde
CID 82395569
2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one
CID 19771729
4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one
CID 83871375
1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-amine
CID 82416295
2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde
CID 105462104
7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde
CID 83914942
2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile
CID 39235676
2-(4-oxo-3,5,6,8-tetrahydrothiopyrano[3,4-d]pyrimidin-2-yl)acetic acid
CID 136699610

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde?
The IUPAC name of 2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde (CID 83871751) is 2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde?
The canonical SMILES for 2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde is O=Cc1nc(=O)[nH]c2c1CSCC2.
What is the InChIKey of 2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde?
The InChIKey is YCERVBZZPXQZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c11-3-7-5-4-13-2-1-6(5)9-8(12)10-7/h3H,1-2,4H2,(H,9,10,12).
What are the key properties of 2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde?
2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde has a molecular weight of 196.23 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde is sourced from PubChem (CID 83871751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).