[2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine

C13H12F2N4S — CID 80980397

IUPAC[2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESNNc1cc(Sc2cc(F)ccc2F)nc(C2CC2)n1
InChIInChI=1S/C13H12F2N4S/c14-8-3-4-9(15)10(5-8)20-12-6-11(19-16)17-13(18-12)7-1-2-7/h3-7H,1-2,16H2,(H,17,18,19)
InChIKeyGBMXXXYRXRFZNY-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.07
Rot. Bonds4

About [2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80980397) has the molecular formula C13H12F2N4S and a molecular weight of 294.33 g/mol. Its IUPAC name is [2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
PubChem CID80980397
Molecular FormulaC13H12F2N4S
Molecular Weight294.33 g/mol
Exact Mass294.08
IUPAC Name[2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESNNc1cc(Sc2cc(F)ccc2F)nc(C2CC2)n1
InChIInChI=1S/C13H12F2N4S/c14-8-3-4-9(15)10(5-8)20-12-6-11(19-16)17-13(18-12)7-1-2-7/h3-7H,1-2,16H2,(H,17,18,19)
InChIKeyGBMXXXYRXRFZNY-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.07
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

[6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776561
2-cyclopropyl-N-(2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969096
2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80968458
[6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine
CID 114793160
(2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80979379
[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766282
[2-cyclopropyl-6-(2-methylpropylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979578
[2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980174
[2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979587
2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine
CID 80969109
N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80964867
[2-cyclopropyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980300

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine (CID 80980397) is [2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine is NNc1cc(Sc2cc(F)ccc2F)nc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is GBMXXXYRXRFZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4S/c14-8-3-4-9(15)10(5-8)20-12-6-11(19-16)17-13(18-12)7-1-2-7/h3-7H,1-2,16H2,(H,17,18,19).
What are the key properties of [2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 294.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80980397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).