2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

C10H8N6OS2 — CID 112750793

IUPAC2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESNNc1nc(Sc2nccc(=O)[nH]2)c2sccc2n1
InChIInChI=1S/C10H8N6OS2/c11-16-9-13-5-2-4-18-7(5)8(15-9)19-10-12-3-1-6(17)14-10/h1-4H,11H2,(H,12,14,17)(H,13,15,16)
InChIKeyZKBCKRUQXASACK-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.21
Rot. Bonds3

About 2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 112750793) has the molecular formula C10H8N6OS2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
PubChem CID112750793
Molecular FormulaC10H8N6OS2
Molecular Weight292.35 g/mol
Exact Mass292.02
IUPAC Name2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESNNc1nc(Sc2nccc(=O)[nH]2)c2sccc2n1
InChIInChI=1S/C10H8N6OS2/c11-16-9-13-5-2-4-18-7(5)8(15-9)19-10-12-3-1-6(17)14-10/h1-4H,11H2,(H,12,14,17)(H,13,15,16)
InChIKeyZKBCKRUQXASACK-UHFFFAOYSA-N
XLogP1.21
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 2396236
N-allyl-2-(allylsulfanyl)thieno[3,2-d]pyrimidin-4-amine
CID 3750330
3-[[2-[3-(Dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanamide
CID 156019013
4-Hydrazino-2-methylthiothiopheno[3,2-d]pyrimidine
CID 57025095
N-carbamoyl-3-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18274708
N-(1,3-benzothiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
CID 684496
N-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 17403982
N-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 18123722
N-(3-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 18123741
N-(4-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245034
N-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34246204
2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 34247379

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (CID 112750793) is 2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is NNc1nc(Sc2nccc(=O)[nH]2)c2sccc2n1.
What is the InChIKey of 2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is ZKBCKRUQXASACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6OS2/c11-16-9-13-5-2-4-18-7(5)8(15-9)19-10-12-3-1-6(17)14-10/h1-4H,11H2,(H,12,14,17)(H,13,15,16).
What are the key properties of 2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 292.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 112750793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).