4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine

C17H13F2N3S — CID 95921622

IUPAC4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine
SMILESCc1nc(SCc2ccc(F)c(F)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C17H13F2N3S/c1-11-21-16(15-4-2-3-7-20-15)9-17(22-11)23-10-12-5-6-13(18)14(19)8-12/h2-9H,10H2,1H3
InChIKeyHJVJCAATZPPMCA-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.42
Rot. Bonds4

About 4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine

4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine (PubChem CID 95921622) has the molecular formula C17H13F2N3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine
PubChem CID95921622
Molecular FormulaC17H13F2N3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine
SMILESCc1nc(SCc2ccc(F)c(F)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C17H13F2N3S/c1-11-21-16(15-4-2-3-7-20-15)9-17(22-11)23-10-12-5-6-13(18)14(19)8-12/h2-9H,10H2,1H3
InChIKeyHJVJCAATZPPMCA-UHFFFAOYSA-N
XLogP4.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 7207331
3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 122542944
2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)ethanamine
CID 83849082
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide
CID 95921613
4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
CID 134115583
3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine
CID 78846715
N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide
CID 95921612
3-[(2,6-difluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 56661662
[2-fluoro-5-(pyrimidin-2-ylsulfanylmethyl)phenyl]boronic acid
CID 54969432
3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine
CID 56678749
1,2-difluoro-4-(methylsulfanylmethyl)benzene
CID 89093376
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-pyridin-2-ylpyrimidine
CID 130261239

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine?
The IUPAC name of 4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine (CID 95921622) is 4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine is Cc1nc(SCc2ccc(F)c(F)c2)cc(-c2ccccn2)n1.
What is the InChIKey of 4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine?
The InChIKey is HJVJCAATZPPMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3S/c1-11-21-16(15-4-2-3-7-20-15)9-17(22-11)23-10-12-5-6-13(18)14(19)8-12/h2-9H,10H2,1H3.
What are the key properties of 4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine?
4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine has a molecular weight of 329.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine is sourced from PubChem (CID 95921622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).