2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide

C8H12N4OS — CID 107551802

IUPAC2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(SCCOC)n1
InChIInChI=1S/C8H12N4OS/c1-13-4-5-14-8-11-3-2-6(12-8)7(9)10/h2-3H,4-5H2,1H3,(H3,9,10)
InChIKeyQQLNCYBWFVUSJM-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.50
Rot. Bonds5

About 2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide

2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide (PubChem CID 107551802) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide
PubChem CID107551802
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(SCCOC)n1
InChIInChI=1S/C8H12N4OS/c1-13-4-5-14-8-11-3-2-6(12-8)7(9)10/h2-3H,4-5H2,1H3,(H3,9,10)
InChIKeyQQLNCYBWFVUSJM-UHFFFAOYSA-N
XLogP0.50
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethylsulfanyl)pyrimidine-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-(2-methoxyethylsulfanyl)pyrimidine-4-carboxylic acid
CID 107555171
6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide
CID 64595015
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carboximidamide
CID 107551920
2-cyclohexylsulfanylpyrimidine-4-carboximidamide
CID 107551814
3-(4-methylpyrimidin-2-yl)sulfanylpropanimidamide
CID 62269617
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-2-carboximidamide
CID 104562293
2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide
CID 107551875
2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide
CID 63856837
2-butan-2-yloxypyrimidine-4-carboximidamide
CID 107551031
2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 79522698
5-bromo-2-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114893629
2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114884393

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide (CID 107551802) is 2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(SCCOC)n1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide?
The InChIKey is QQLNCYBWFVUSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-13-4-5-14-8-11-3-2-6(12-8)7(9)10/h2-3H,4-5H2,1H3,(H3,9,10).
What are the key properties of 2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide?
2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide has a molecular weight of 212.28 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107551802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).