4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde

C7H9N3OS — CID 10607520

IUPAC4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde
SMILESCNc1nc(SC)ncc1C=O
InChIInChI=1S/C7H9N3OS/c1-8-6-5(4-11)3-9-7(10-6)12-2/h3-4H,1-2H3,(H,8,9,10)
InChIKeyWGUCZWYLSKPURM-UHFFFAOYSA-N
MW183.24 g/mol
LogP1.05
Rot. Bonds3

About 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde

4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde (PubChem CID 10607520) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde
PubChem CID10607520
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde
SMILESCNc1nc(SC)ncc1C=O
InChIInChI=1S/C7H9N3OS/c1-8-6-5(4-11)3-9-7(10-6)12-2/h3-4H,1-2H3,(H,8,9,10)
InChIKeyWGUCZWYLSKPURM-UHFFFAOYSA-N
XLogP1.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde (CID 10607520) is 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde is CNc1nc(SC)ncc1C=O.
What is the InChIKey of 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde?
The InChIKey is WGUCZWYLSKPURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-8-6-5(4-11)3-9-7(10-6)12-2/h3-4H,1-2H3,(H,8,9,10).
What are the key properties of 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde?
4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde has a molecular weight of 183.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 10607520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).