5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine

C9H14FN5O2S — CID 80903760

IUPAC5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
SMILESCC1(Nc2nc(NN)ncc2F)CCS(=O)(=O)C1
InChIInChI=1S/C9H14FN5O2S/c1-9(2-3-18(16,17)5-9)14-7-6(10)4-12-8(13-7)15-11/h4H,2-3,5,11H2,1H3,(H2,12,13,14,15)
InChIKeyPHFMYIPIUQWWON-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.11
Rot. Bonds3

About 5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine (PubChem CID 80903760) has the molecular formula C9H14FN5O2S and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
PubChem CID80903760
Molecular FormulaC9H14FN5O2S
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
SMILESCC1(Nc2nc(NN)ncc2F)CCS(=O)(=O)C1
InChIInChI=1S/C9H14FN5O2S/c1-9(2-3-18(16,17)5-9)14-7-6(10)4-12-8(13-7)15-11/h4H,2-3,5,11H2,1H3,(H2,12,13,14,15)
InChIKeyPHFMYIPIUQWWON-UHFFFAOYSA-N
XLogP-0.11
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.11
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine (CID 80903760) is 5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine is CC1(Nc2nc(NN)ncc2F)CCS(=O)(=O)C1.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine?
The InChIKey is PHFMYIPIUQWWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN5O2S/c1-9(2-3-18(16,17)5-9)14-7-6(10)4-12-8(13-7)15-11/h4H,2-3,5,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine has a molecular weight of 275.31 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 80903760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).