2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one

C10H11N5OS — CID 62464174

IUPAC2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESNNc1ncccc1CSc1nccc(=O)[nH]1
InChIInChI=1S/C10H11N5OS/c11-15-9-7(2-1-4-12-9)6-17-10-13-5-3-8(16)14-10/h1-5H,6,11H2,(H,12,15)(H,13,14,16)
InChIKeyAKCWGUICCINCQW-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.74
Rot. Bonds4

About 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one

2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 62464174) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID62464174
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESNNc1ncccc1CSc1nccc(=O)[nH]1
InChIInChI=1S/C10H11N5OS/c11-15-9-7(2-1-4-12-9)6-17-10-13-5-3-8(16)14-10/h1-5H,6,11H2,(H,12,15)(H,13,14,16)
InChIKeyAKCWGUICCINCQW-UHFFFAOYSA-N
XLogP0.74
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one
CID 62466779
2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 19829479
2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol
CID 62466321
2-[(3-amino-2-bromophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 114048821
3-bromo-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzohydrazide
CID 102774932
[3-(propan-2-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 62464001
[3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62465416
4-fluoro-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzohydrazide
CID 107459092
[3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 63238329
2-[(4-chloro-2-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 79244812
2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide
CID 63581560
2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 60731037

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one (CID 62464174) is 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one is NNc1ncccc1CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is AKCWGUICCINCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c11-15-9-7(2-1-4-12-9)6-17-10-13-5-3-8(16)14-10/h1-5H,6,11H2,(H,12,15)(H,13,14,16).
What are the key properties of 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?
2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 249.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 62464174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).