2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

C9H10N6OS2 — CID 80924203

IUPAC2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(NN)cc(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C9H10N6OS2/c1-17-9-12-5(15-10)4-7(14-9)18-8-11-3-2-6(16)13-8/h2-4H,10H2,1H3,(H,11,13,16)(H,12,14,15)
InChIKeyAURPWELFQFBBND-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.72
Rot. Bonds4

About 2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 80924203) has the molecular formula C9H10N6OS2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
PubChem CID80924203
Molecular FormulaC9H10N6OS2
Molecular Weight282.35 g/mol
Exact Mass282.04
IUPAC Name2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(NN)cc(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C9H10N6OS2/c1-17-9-12-5(15-10)4-7(14-9)18-8-11-3-2-6(16)13-8/h2-4H,10H2,1H3,(H,11,13,16)(H,12,14,15)
InChIKeyAURPWELFQFBBND-UHFFFAOYSA-N
XLogP0.72
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.72
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-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 106774920
2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 106774921
2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 106774923
2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 106776521
N-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide
CID 114235251
2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136802791
4-amino-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 136802792
[2,6-Bis(methylsulfanyl)pyrimidin-4-yl]hydrazine
CID 13473348
2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80545885
2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80892827
2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80892987
2-[6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893068

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (CID 80924203) is 2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is CSc1nc(NN)cc(Sc2nccc(=O)[nH]2)n1.
What is the InChIKey of 2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is AURPWELFQFBBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS2/c1-17-9-12-5(15-10)4-7(14-9)18-8-11-3-2-6(16)13-8/h2-4H,10H2,1H3,(H,11,13,16)(H,12,14,15).
What are the key properties of 2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 282.35 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 80924203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).