4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine

C11H9FN2OS — CID 115417343

IUPAC4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine
SMILESCOc1ccccc1Sc1cc(F)ncn1
InChIInChI=1S/C11H9FN2OS/c1-15-8-4-2-3-5-9(8)16-11-6-10(12)13-7-14-11/h2-7H,1H3
InChIKeyJQMGDMJWNUGSPT-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.78
Rot. Bonds3

About 4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine

4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine (PubChem CID 115417343) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine
PubChem CID115417343
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine
SMILESCOc1ccccc1Sc1cc(F)ncn1
InChIInChI=1S/C11H9FN2OS/c1-15-8-4-2-3-5-9(8)16-11-6-10(12)13-7-14-11/h2-7H,1H3
InChIKeyJQMGDMJWNUGSPT-UHFFFAOYSA-N
XLogP2.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine
CID 115417324
6-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 115416307
[2-(2-methoxyphenyl)sulfanyl-4-pyridinyl]methanamine
CID 61289802
6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80886236
6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720288
6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile
CID 47364170
[6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine
CID 61289983
2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine
CID 114070766
2,4-dichloro-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62868242
6-(2-methoxyphenyl)sulfanylpyridine-3-carboxylic acid
CID 55136319
3-fluoro-4-(2-methoxyphenyl)sulfanylbenzonitrile
CID 61296343
(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951739

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine?
The IUPAC name of 4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine (CID 115417343) is 4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine.
What is the SMILES notation for 4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine?
The canonical SMILES for 4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine is COc1ccccc1Sc1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine?
The InChIKey is JQMGDMJWNUGSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-15-8-4-2-3-5-9(8)16-11-6-10(12)13-7-14-11/h2-7H,1H3.
What are the key properties of 4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine?
4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine has a molecular weight of 236.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine is sourced from PubChem (CID 115417343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).