5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine

C10H16FN5S — CID 80926794

IUPAC5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine
SMILESCC1(CNc2nc(NN)ncc2F)CCCS1
InChIInChI=1S/C10H16FN5S/c1-10(3-2-4-17-10)6-14-8-7(11)5-13-9(15-8)16-12/h5H,2-4,6,12H2,1H3,(H2,13,14,15,16)
InChIKeyZPXOYIUAXHULHJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.60
Rot. Bonds4

About 5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80926794) has the molecular formula C10H16FN5S and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine
PubChem CID80926794
Molecular FormulaC10H16FN5S
Molecular Weight257.34 g/mol
Exact Mass257.11
IUPAC Name5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine
SMILESCC1(CNc2nc(NN)ncc2F)CCCS1
InChIInChI=1S/C10H16FN5S/c1-10(3-2-4-17-10)6-14-8-7(11)5-13-9(15-8)16-12/h5H,2-4,6,12H2,1H3,(H2,13,14,15,16)
InChIKeyZPXOYIUAXHULHJ-UHFFFAOYSA-N
XLogP1.60
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.60
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

5-fluoro-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine
CID 115750262
3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine
CID 80725115
6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 80927117
5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine
CID 114600714
3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103692
5-bromo-2-N-[(2-methylthiolan-2-yl)methyl]pyridine-2,3-diamine
CID 80736906
5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80846627
N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80929537
5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine
CID 80927239
ethyl 4-methyl-2-[(2-methylthiolan-2-yl)methylamino]pyrimidine-5-carboxylate
CID 83180321
2-N-[(2-methylthiolan-2-yl)methyl]pyrazine-2,6-diamine
CID 80527980
5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine
CID 103582588

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine (CID 80926794) is 5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine is CC1(CNc2nc(NN)ncc2F)CCCS1.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is ZPXOYIUAXHULHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN5S/c1-10(3-2-4-17-10)6-14-8-7(11)5-13-9(15-8)16-12/h5H,2-4,6,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80926794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).