[6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine

C12H12F2N4S — CID 80925558

IUPAC[6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(Sc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H12F2N4S/c1-6-11(18-15)16-7(2)17-12(6)19-8-3-4-9(13)10(14)5-8/h3-5H,15H2,1-2H3,(H,16,17,18)
InChIKeyBBVVTPVOCCHHPN-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.81
Rot. Bonds3

About [6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine

[6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 80925558) has the molecular formula C12H12F2N4S and a molecular weight of 282.32 g/mol. Its IUPAC name is [6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine
PubChem CID80925558
Molecular FormulaC12H12F2N4S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name[6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(Sc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H12F2N4S/c1-6-11(18-15)16-7(2)17-12(6)19-8-3-4-9(13)10(14)5-8/h3-5H,15H2,1-2H3,(H,16,17,18)
InChIKeyBBVVTPVOCCHHPN-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.81
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-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80990085
6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80991285
[6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80926034
[6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001101
4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine
CID 63728722
6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80890159
6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80882760
N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80921030
(6-tert-butylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80924800
(6-ethylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80925717
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine
CID 115479576
2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80925999

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine (CID 80925558) is [6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine is Cc1nc(NN)c(C)c(Sc2ccc(F)c(F)c2)n1.
What is the InChIKey of [6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is BBVVTPVOCCHHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4S/c1-6-11(18-15)16-7(2)17-12(6)19-8-3-4-9(13)10(14)5-8/h3-5H,15H2,1-2H3,(H,16,17,18).
What are the key properties of [6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine?
[6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine has a molecular weight of 282.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80925558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).