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

C12H11F2N3S — CID 107552217

IUPAC[2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C12H11F2N3S/c1-7-4-9(6-15)17-12(16-7)18-11-3-2-8(13)5-10(11)14/h2-5H,6,15H2,1H3
InChIKeyKJBRZSZDSIGSHZ-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.67
Rot. Bonds3

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

[2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine (PubChem CID 107552217) has the molecular formula C12H11F2N3S and a molecular weight of 267.30 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
PubChem CID107552217
Molecular FormulaC12H11F2N3S
Molecular Weight267.30 g/mol
Exact Mass267.06
IUPAC Name[2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C12H11F2N3S/c1-7-4-9(6-15)17-12(16-7)18-11-3-2-8(13)5-10(11)14/h2-5H,6,15H2,1H3
InChIKeyKJBRZSZDSIGSHZ-UHFFFAOYSA-N
XLogP2.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552247
2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide
CID 107551795
(1S)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 78938915
2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine
CID 60726032
[2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552271
[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine
CID 63757028
[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
CID 81052393
2-[4-(2,4-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 55240458
2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine
CID 55238731
2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916377
4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893899
[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
CID 61382947

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine (CID 107552217) is [2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine is Cc1cc(CN)nc(Sc2ccc(F)cc2F)n1.
What is the InChIKey of [2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is KJBRZSZDSIGSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3S/c1-7-4-9(6-15)17-12(16-7)18-11-3-2-8(13)5-10(11)14/h2-5H,6,15H2,1H3.
What are the key properties of [2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine?
[2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 267.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 107552217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).