2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide

C15H13N5S — CID 63883978

IUPAC2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(Sc2nccc(C)n2)nc2ccccc12
InChIInChI=1S/C15H13N5S/c1-9-6-7-18-15(19-9)21-13-8-11(14(16)17)10-4-2-3-5-12(10)20-13/h2-8H,1H3,(H3,16,17)
InChIKeySGMRWAYOHROHNJ-UHFFFAOYSA-N
MW295.37 g/mol
LogP2.77
Rot. Bonds3

About 2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide

2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide (PubChem CID 63883978) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide.

Molecular Properties

Compound Name2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide
PubChem CID63883978
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(Sc2nccc(C)n2)nc2ccccc12
InChIInChI=1S/C15H13N5S/c1-9-6-7-18-15(19-9)21-13-8-11(14(16)17)10-4-2-3-5-12(10)20-13/h2-8H,1H3,(H3,16,17)
InChIKeySGMRWAYOHROHNJ-UHFFFAOYSA-N
XLogP2.77
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-4-carboximidamide
CID 114769659
2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline-4-carboximidamide
CID 63884363
2-propoxyquinoline-4-carboximidamide
CID 63885122
2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide
CID 63884548
4-(4-methylpyrimidin-2-yl)sulfanylquinazoline-2-carboxylic acid
CID 63868830
2-(2-hydroxyethoxy)quinoline-4-carboximidamide
CID 63884357
2-fluoro-3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 107118487
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide
CID 136914226
2-(3-methylphenoxy)quinoline-4-carboximidamide
CID 63884736
4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide
CID 62306812
2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide
CID 104562386
2-(2-propoxyethoxy)quinoline-4-carboximidamide
CID 63883975

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide?
The IUPAC name of 2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide (CID 63883978) is 2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide.
What is the SMILES notation for 2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide?
The canonical SMILES for 2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide is [H]/N=C(\N)c1cc(Sc2nccc(C)n2)nc2ccccc12.
What is the InChIKey of 2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide?
The InChIKey is SGMRWAYOHROHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c1-9-6-7-18-15(19-9)21-13-8-11(14(16)17)10-4-2-3-5-12(10)20-13/h2-8H,1H3,(H3,16,17).
What are the key properties of 2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide?
2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide has a molecular weight of 295.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide is sourced from PubChem (CID 63883978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).