4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde

C7H9N3OS — CID 22280343

IUPAC4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde
SMILESCSc1nc(C)c(C=O)c(N)n1
InChIInChI=1S/C7H9N3OS/c1-4-5(3-11)6(8)10-7(9-4)12-2/h3H,1-2H3,(H2,8,9,10)
InChIKeyALESZODLOWUYEM-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.90
Rot. Bonds2

About 4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde

4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde (PubChem CID 22280343) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde
PubChem CID22280343
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde
SMILESCSc1nc(C)c(C=O)c(N)n1
InChIInChI=1S/C7H9N3OS/c1-4-5(3-11)6(8)10-7(9-4)12-2/h3H,1-2H3,(H2,8,9,10)
InChIKeyALESZODLOWUYEM-UHFFFAOYSA-N
XLogP0.90
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde (CID 22280343) is 4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde is CSc1nc(C)c(C=O)c(N)n1.
What is the InChIKey of 4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde?
The InChIKey is ALESZODLOWUYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-4-5(3-11)6(8)10-7(9-4)12-2/h3H,1-2H3,(H2,8,9,10).
What are the key properties of 4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde?
4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde has a molecular weight of 183.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 22280343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).