2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine

C12H11FN2S — CID 5048437

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine
SMILESCc1ccnc(SCc2ccccc2F)n1
InChIInChI=1S/C12H11FN2S/c1-9-6-7-14-12(15-9)16-8-10-4-2-3-5-11(10)13/h2-7H,8H2,1H3
InChIKeyCZTHWXRZYACNAG-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.22
Rot. Bonds3

About 2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine

2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine (PubChem CID 5048437) has the molecular formula C12H11FN2S and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine
PubChem CID5048437
Molecular FormulaC12H11FN2S
Molecular Weight234.30 g/mol
Exact Mass234.06
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine
SMILESCc1ccnc(SCc2ccccc2F)n1
InChIInChI=1S/C12H11FN2S/c1-9-6-7-14-12(15-9)16-8-10-4-2-3-5-11(10)13/h2-7H,8H2,1H3
InChIKeyCZTHWXRZYACNAG-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine
CID 1046861
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]aniline
CID 62268189
[3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 55128212
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzonitrile
CID 60722997
[3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62268739
2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-4-methylpyrimidine
CID 107349702
2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine
CID 123240573
2-fluoro-3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 107118487
3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carboximidamide
CID 55128218
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
2-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline
CID 62497444
2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine
CID 47124414

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine (CID 5048437) is 2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine is Cc1ccnc(SCc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine?
The InChIKey is CZTHWXRZYACNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S/c1-9-6-7-14-12(15-9)16-8-10-4-2-3-5-11(10)13/h2-7H,8H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine?
2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine has a molecular weight of 234.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine is sourced from PubChem (CID 5048437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).