4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one

C10H16N6OS — CID 80931065

IUPAC4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one
SMILESCSc1nc(NN)cc(N2CCCNC(=O)C2)n1
InChIInChI=1S/C10H16N6OS/c1-18-10-13-7(15-11)5-8(14-10)16-4-2-3-12-9(17)6-16/h5H,2-4,6,11H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyODLRFUVYNSYZOD-UHFFFAOYSA-N
MW268.35 g/mol
LogP-0.19
Rot. Bonds3

About 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one

4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one (PubChem CID 80931065) has the molecular formula C10H16N6OS and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one
PubChem CID80931065
Molecular FormulaC10H16N6OS
Molecular Weight268.35 g/mol
Exact Mass268.11
IUPAC Name4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one
SMILESCSc1nc(NN)cc(N2CCCNC(=O)C2)n1
InChIInChI=1S/C10H16N6OS/c1-18-10-13-7(15-11)5-8(14-10)16-4-2-3-12-9(17)6-16/h5H,2-4,6,11H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyODLRFUVYNSYZOD-UHFFFAOYSA-N
XLogP-0.19
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80546802
1-[4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 80901943
4-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 80959348
(2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 80932159
4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one
CID 80947659
[6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80908426
4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 114567345
4-[2-amino-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 80843065
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-1,4-diazepan-5-one
CID 80830734
4-(6-hydrazinylpyrazin-2-yl)piperazin-2-one
CID 80932982
ethane;N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 90766757
[6-(2-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80898992

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one?
The IUPAC name of 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one (CID 80931065) is 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one is CSc1nc(NN)cc(N2CCCNC(=O)C2)n1.
What is the InChIKey of 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one?
The InChIKey is ODLRFUVYNSYZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6OS/c1-18-10-13-7(15-11)5-8(14-10)16-4-2-3-12-9(17)6-16/h5H,2-4,6,11H2,1H3,(H,12,17)(H,13,14,15).
What are the key properties of 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one?
4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one has a molecular weight of 268.35 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one is sourced from PubChem (CID 80931065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).