4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide

C12H15N5S — CID 61176360

IUPAC4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1Sc1nccn1C
InChIInChI=1S/C12H15N5S/c1-7-6-8(2)16-11(9(7)10(13)14)18-12-15-4-5-17(12)3/h4-6H,1-3H3,(H3,13,14)
InChIKeyYKLQRGCFMHVIEF-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.87
Rot. Bonds3

About 4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide

4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide (PubChem CID 61176360) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
PubChem CID61176360
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1Sc1nccn1C
InChIInChI=1S/C12H15N5S/c1-7-6-8(2)16-11(9(7)10(13)14)18-12-15-4-5-17(12)3/h4-6H,1-3H3,(H3,13,14)
InChIKeyYKLQRGCFMHVIEF-UHFFFAOYSA-N
XLogP1.87
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide?
The IUPAC name of 4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide (CID 61176360) is 4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide.
What is the SMILES notation for 4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide?
The canonical SMILES for 4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1Sc1nccn1C.
What is the InChIKey of 4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide?
The InChIKey is YKLQRGCFMHVIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-7-6-8(2)16-11(9(7)10(13)14)18-12-15-4-5-17(12)3/h4-6H,1-3H3,(H3,13,14).
What are the key properties of 4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide?
4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide has a molecular weight of 261.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide is sourced from PubChem (CID 61176360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).