[2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine

C12H12FN3S — CID 107552247

IUPAC[2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(Sc2ccccc2F)n1
InChIInChI=1S/C12H12FN3S/c1-8-6-9(7-14)16-12(15-8)17-11-5-3-2-4-10(11)13/h2-6H,7,14H2,1H3
InChIKeyRDEFSEOGKSFLTR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.53
Rot. Bonds3

About [2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine

[2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine (PubChem CID 107552247) has the molecular formula C12H12FN3S and a molecular weight of 249.31 g/mol. Its IUPAC name is [2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
PubChem CID107552247
Molecular FormulaC12H12FN3S
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC Name[2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(Sc2ccccc2F)n1
InChIInChI=1S/C12H12FN3S/c1-8-6-9(7-14)16-12(15-8)17-11-5-3-2-4-10(11)13/h2-6H,7,14H2,1H3
InChIKeyRDEFSEOGKSFLTR-UHFFFAOYSA-N
XLogP2.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552217
[2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552271
6-bromo-2-(2-fluorophenyl)sulfanylpyrimidin-4-amine
CID 116798140
4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid
CID 81053322
(1S)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 78938915
1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
CID 55238730
[4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine
CID 63804900
2-(2-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid
CID 60677697
2-(2-fluorophenyl)sulfanylpyrimidine
CID 91491747
[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine
CID 79517045
2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine
CID 55238731
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,4-difluoroaniline
CID 55085836

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine (CID 107552247) is [2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine is Cc1cc(CN)nc(Sc2ccccc2F)n1.
What is the InChIKey of [2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is RDEFSEOGKSFLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3S/c1-8-6-9(7-14)16-12(15-8)17-11-5-3-2-4-10(11)13/h2-6H,7,14H2,1H3.
What are the key properties of [2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine?
[2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 249.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 107552247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).