4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine

C7H9N5S — CID 6620942

IUPAC4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine
SMILESCSC1=NN1c1cc(C)nc(N)n1
InChIInChI=1S/C7H9N5S/c1-4-3-5(10-6(8)9-4)12-7(11-12)13-2/h3H,1-2H3,(H2,8,9,10)
InChIKeyOTHQVUQHPHYRQC-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.82
Rot. Bonds1

About 4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine

4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine (PubChem CID 6620942) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine
PubChem CID6620942
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine
SMILESCSC1=NN1c1cc(C)nc(N)n1
InChIInChI=1S/C7H9N5S/c1-4-3-5(10-6(8)9-4)12-7(11-12)13-2/h3H,1-2H3,(H2,8,9,10)
InChIKeyOTHQVUQHPHYRQC-UHFFFAOYSA-N
XLogP0.82
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine 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-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine (CID 6620942) is 4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine is CSC1=NN1c1cc(C)nc(N)n1.
What is the InChIKey of 4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine?
The InChIKey is OTHQVUQHPHYRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-4-3-5(10-6(8)9-4)12-7(11-12)13-2/h3H,1-2H3,(H2,8,9,10).
What are the key properties of 4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine?
4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine has a molecular weight of 195.25 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylsulfanyldiazirin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 6620942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).