[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine

C12H12FN3S — CID 61382947

IUPAC[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
SMILESCc1cnc(Sc2ccc(CN)cc2F)nc1
InChIInChI=1S/C12H12FN3S/c1-8-6-15-12(16-7-8)17-11-3-2-9(5-14)4-10(11)13/h2-4,6-7H,5,14H2,1H3
InChIKeyAAALCCMAYRODMV-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.53
Rot. Bonds3

About [3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine

[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine (PubChem CID 61382947) has the molecular formula C12H12FN3S and a molecular weight of 249.31 g/mol. Its IUPAC name is [3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
PubChem CID61382947
Molecular FormulaC12H12FN3S
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC Name[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
SMILESCc1cnc(Sc2ccc(CN)cc2F)nc1
InChIInChI=1S/C12H12FN3S/c1-8-6-15-12(16-7-8)17-11-3-2-9(5-14)4-10(11)13/h2-4,6-7H,5,14H2,1H3
InChIKeyAAALCCMAYRODMV-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

Analyze [3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 55239462
[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
CID 61245088
[5-chloro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
CID 62495057
[3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 43657627
[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657658
[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657614
N-[(3-fluoro-4-pyrimidin-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63805505
[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 62647190
2-[4-(aminomethyl)-2-methylphenyl]sulfanylpyrimidine-4,6-diamine
CID 63813161
N-[[3-chloro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]propan-2-amine
CID 81160313
[2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552217
[4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol
CID 63813829

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine?
The IUPAC name of [3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine (CID 61382947) is [3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine is Cc1cnc(Sc2ccc(CN)cc2F)nc1.
What is the InChIKey of [3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine?
The InChIKey is AAALCCMAYRODMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3S/c1-8-6-15-12(16-7-8)17-11-3-2-9(5-14)4-10(11)13/h2-4,6-7H,5,14H2,1H3.
What are the key properties of [3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine?
[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]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 [3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine is sourced from PubChem (CID 61382947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).