2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide

C12H10F2N4S — CID 107551795

IUPAC2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C12H10F2N4S/c1-6-4-9(11(15)16)18-12(17-6)19-10-3-2-7(13)5-8(10)14/h2-5H,1H3,(H3,15,16)
InChIKeyAGUKWSVBVYLGIE-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.50
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide

2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide (PubChem CID 107551795) has the molecular formula C12H10F2N4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide
PubChem CID107551795
Molecular FormulaC12H10F2N4S
Molecular Weight280.30 g/mol
Exact Mass280.06
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C12H10F2N4S/c1-6-4-9(11(15)16)18-12(17-6)19-10-3-2-7(13)5-8(10)14/h2-5H,1H3,(H3,15,16)
InChIKeyAGUKWSVBVYLGIE-UHFFFAOYSA-N
XLogP2.50
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide
CID 107551733
6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide
CID 64593647
[2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552217
6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide
CID 107551821
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-6-methylpyrimidine-4-carboximidamide
CID 107551904
5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
CID 113321389
2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522536
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide
CID 107551897
2-(2,3-difluorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551122
6-methyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboximidamide
CID 107551838
2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175206
(1S)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 78938915

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide (CID 107551795) is 2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(Sc2ccc(F)cc2F)n1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide?
The InChIKey is AGUKWSVBVYLGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4S/c1-6-4-9(11(15)16)18-12(17-6)19-10-3-2-7(13)5-8(10)14/h2-5H,1H3,(H3,15,16).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide?
2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide has a molecular weight of 280.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107551795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).