4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide

C15H18N4S — CID 65043483

IUPAC4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C15H18N4S/c1-8-5-6-12(14(16)17)13(7-8)20-15-18-10(3)9(2)11(4)19-15/h5-7H,1-4H3,(H3,16,17)
InChIKeyRZKAXAJDRJPHJA-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.15
Rot. Bonds3

About 4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide

4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide (PubChem CID 65043483) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide
PubChem CID65043483
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C15H18N4S/c1-8-5-6-12(14(16)17)13(7-8)20-15-18-10(3)9(2)11(4)19-15/h5-7H,1-4H3,(H3,16,17)
InChIKeyRZKAXAJDRJPHJA-UHFFFAOYSA-N
XLogP3.15
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.15
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

4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide
CID 62306812
4-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 113298641
2-(2-fluorophenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306806
2-tert-butylsulfanyl-4-methylbenzenecarboximidamide
CID 62306992
4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 63093373
2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide
CID 62308177
6-(2,4-dimethylphenyl)-2-methylpyridine-3-carboximidamide
CID 82452571
2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306987
4-methyl-2-(3-methylbutylsulfanyl)benzenecarboximidamide
CID 107750181
2-benzylsulfanyl-4-methylbenzenecarboximidamide
CID 62307832
4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 55179845
4-methyl-2-sulfanylbenzenecarboximidamide
CID 142196477

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide?
The IUPAC name of 4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide (CID 65043483) is 4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1Sc1nc(C)c(C)c(C)n1.
What is the InChIKey of 4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide?
The InChIKey is RZKAXAJDRJPHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-8-5-6-12(14(16)17)13(7-8)20-15-18-10(3)9(2)11(4)19-15/h5-7H,1-4H3,(H3,16,17).
What are the key properties of 4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide?
4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide has a molecular weight of 286.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 65043483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).