3-methyl-6-(methylamino)pyrimidine-4-thione

C6H9N3S — CID 45118445

IUPAC3-methyl-6-(methylamino)pyrimidine-4-thione
SMILESCNc1cc(=S)n(C)cn1
InChIInChI=1S/C6H9N3S/c1-7-5-3-6(10)9(2)4-8-5/h3-4,7H,1-2H3
InChIKeyTXKIZVBLSSHFPT-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.19
Rot. Bonds1

About 3-methyl-6-(methylamino)pyrimidine-4-thione

3-methyl-6-(methylamino)pyrimidine-4-thione (PubChem CID 45118445) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 3-methyl-6-(methylamino)pyrimidine-4-thione.

Molecular Properties

Compound Name3-methyl-6-(methylamino)pyrimidine-4-thione
PubChem CID45118445
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name3-methyl-6-(methylamino)pyrimidine-4-thione
SMILESCNc1cc(=S)n(C)cn1
InChIInChI=1S/C6H9N3S/c1-7-5-3-6(10)9(2)4-8-5/h3-4,7H,1-2H3
InChIKeyTXKIZVBLSSHFPT-UHFFFAOYSA-N
XLogP1.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(methylamino)pyrimidine-4-thione?
The IUPAC name of 3-methyl-6-(methylamino)pyrimidine-4-thione (CID 45118445) is 3-methyl-6-(methylamino)pyrimidine-4-thione.
What is the SMILES notation for 3-methyl-6-(methylamino)pyrimidine-4-thione?
The canonical SMILES for 3-methyl-6-(methylamino)pyrimidine-4-thione is CNc1cc(=S)n(C)cn1.
What is the InChIKey of 3-methyl-6-(methylamino)pyrimidine-4-thione?
The InChIKey is TXKIZVBLSSHFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-7-5-3-6(10)9(2)4-8-5/h3-4,7H,1-2H3.
What are the key properties of 3-methyl-6-(methylamino)pyrimidine-4-thione?
3-methyl-6-(methylamino)pyrimidine-4-thione has a molecular weight of 155.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(methylamino)pyrimidine-4-thione is sourced from PubChem (CID 45118445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).