[5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine

C8H11FN4S — CID 164647254

IUPAC[5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(C2CSC2)nc(NN)c1F
InChIInChI=1S/C8H11FN4S/c1-4-6(9)8(13-10)12-7(11-4)5-2-14-3-5/h5H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyJPOCZHMEYPNEGV-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.04
Rot. Bonds2

About [5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine

[5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine (PubChem CID 164647254) has the molecular formula C8H11FN4S and a molecular weight of 214.27 g/mol. Its IUPAC name is [5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine
PubChem CID164647254
Molecular FormulaC8H11FN4S
Molecular Weight214.27 g/mol
Exact Mass214.07
IUPAC Name[5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(C2CSC2)nc(NN)c1F
InChIInChI=1S/C8H11FN4S/c1-4-6(9)8(13-10)12-7(11-4)5-2-14-3-5/h5H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyJPOCZHMEYPNEGV-UHFFFAOYSA-N
XLogP1.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 79973693
5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine
CID 164644558
[2-(1,4-dithian-2-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 79965885
[5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine
CID 79969957
4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 164647207
[2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114216456
[2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 102844249
[2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 102844248
[6-methyl-2-(3-methylcyclopentyl)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 65413624
[2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 115381279
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 80995592
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 113305589

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine (CID 164647254) is [5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine is Cc1nc(C2CSC2)nc(NN)c1F.
What is the InChIKey of [5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is JPOCZHMEYPNEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4S/c1-4-6(9)8(13-10)12-7(11-4)5-2-14-3-5/h5H,2-3,10H2,1H3,(H,11,12,13).
What are the key properties of [5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine?
[5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 214.27 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 164647254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).