2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide

C10H13N3OS — CID 114769687

IUPAC2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(SC2COC2)c1
InChIInChI=1S/C10H13N3OS/c1-6-2-7(10(11)12)3-9(13-6)15-8-4-14-5-8/h2-3,8H,4-5H2,1H3,(H3,11,12)
InChIKeyINMQANMXSFKHCA-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.16
Rot. Bonds3

About 2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide

2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide (PubChem CID 114769687) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide
PubChem CID114769687
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(SC2COC2)c1
InChIInChI=1S/C10H13N3OS/c1-6-2-7(10(11)12)3-9(13-6)15-8-4-14-5-8/h2-3,8H,4-5H2,1H3,(H3,11,12)
InChIKeyINMQANMXSFKHCA-UHFFFAOYSA-N
XLogP1.16
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.16
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'}

Analyze 2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-4-carboximidamide
CID 114769659
3-methyl-4-(oxetan-3-ylsulfanylmethyl)benzenecarboximidamide
CID 114484205
2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768906
5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide
CID 115490175
2-(dipropylamino)-6-methylpyridine-4-carboximidamide
CID 114768837
2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboximidamide
CID 102744106
2-(ethylamino)-6-methylpyridine-4-carboximidamide
CID 114769014
2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboximidamide
CID 114768904
2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 114768847
2-[ethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768868
N-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
CID 80891476
2-chloro-6-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid
CID 79326598

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide?
The IUPAC name of 2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide (CID 114769687) is 2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide.
What is the SMILES notation for 2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide?
The canonical SMILES for 2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(SC2COC2)c1.
What is the InChIKey of 2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide?
The InChIKey is INMQANMXSFKHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-6-2-7(10(11)12)3-9(13-6)15-8-4-14-5-8/h2-3,8H,4-5H2,1H3,(H3,11,12).
What are the key properties of 2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide?
2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide has a molecular weight of 223.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide is sourced from PubChem (CID 114769687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).