Thieno(2,3-d)pyrimidin-4(3H)-one

C₆H₄N₂OSCAS 14080-50-3152.17 g/mol

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Properties

Molecular formula: C₆H₄N₂OS
Molar mass: 152.17 g/mol
Exact mass: 152.0044 Da
logP: 0.98Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

14080-50-3

SMILES

C1=CSC2=C1C(=O)NC=N2

InChIKey

JEDVKUHCDPPWNR-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N2OS/c9-5-4-1-2-10-6(4)8-3-7-5/h1-3H,(H,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Thieno[2,3-D]pyrimidin-4(3H)one

Work with Thieno(2,3-d)pyrimidin-4(3H)-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Bromoquinazolin-4-ol32084-59-645 % similar 4-Hydroxypyrido (2,3-d)pyrimidine24410-19-344 % similar 7-Bromo-1H-quinazolin-4-one194851-16-641 % similar 4-Chlorothieno[2,3-D]pyrimidine14080-59-240 % similar 4,5-Diamino-6-hydroxypyrimidine1672-50-040 % similar 9-Deazahypoxanthine5655-01-639 % similar 7-Bromothieno(3,2-d)pyrimidin-4-ol31169-25-238 % similar 6,7-Dimethoxy-3H-quinazolin-4-one13794-72-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3H,4H-Thieno[3,2-d]pyrimidin-4-one16234-10-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook