6-amino-3-methyl-1,6-dihydropyrimidine-2-thione

C5H9N3S — CID 122534221

IUPAC6-amino-3-methyl-1,6-dihydropyrimidine-2-thione
SMILESCN1C=CC(N)NC1=S
InChIInChI=1S/C5H9N3S/c1-8-3-2-4(6)7-5(8)9/h2-4H,6H2,1H3,(H,7,9)
InChIKeyFTEWJBZHZPLDFM-UHFFFAOYSA-N
MW143.21 g/mol
LogP-0.40
Rot. Bonds

About 6-amino-3-methyl-1,6-dihydropyrimidine-2-thione

6-amino-3-methyl-1,6-dihydropyrimidine-2-thione (PubChem CID 122534221) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is 6-amino-3-methyl-1,6-dihydropyrimidine-2-thione.

Molecular Properties

Compound Name6-amino-3-methyl-1,6-dihydropyrimidine-2-thione
PubChem CID122534221
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC Name6-amino-3-methyl-1,6-dihydropyrimidine-2-thione
SMILESCN1C=CC(N)NC1=S
InChIInChI=1S/C5H9N3S/c1-8-3-2-4(6)7-5(8)9/h2-4H,6H2,1H3,(H,7,9)
InChIKeyFTEWJBZHZPLDFM-UHFFFAOYSA-N
XLogP-0.40
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-amino-3-methyl-1,6-dihydropyrimidine-2-thione 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 6-amino-3-methyl-1,6-dihydropyrimidine-2-thione?
The IUPAC name of 6-amino-3-methyl-1,6-dihydropyrimidine-2-thione (CID 122534221) is 6-amino-3-methyl-1,6-dihydropyrimidine-2-thione.
What is the SMILES notation for 6-amino-3-methyl-1,6-dihydropyrimidine-2-thione?
The canonical SMILES for 6-amino-3-methyl-1,6-dihydropyrimidine-2-thione is CN1C=CC(N)NC1=S.
What is the InChIKey of 6-amino-3-methyl-1,6-dihydropyrimidine-2-thione?
The InChIKey is FTEWJBZHZPLDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-8-3-2-4(6)7-5(8)9/h2-4H,6H2,1H3,(H,7,9).
What are the key properties of 6-amino-3-methyl-1,6-dihydropyrimidine-2-thione?
6-amino-3-methyl-1,6-dihydropyrimidine-2-thione has a molecular weight of 143.21 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1,6-dihydropyrimidine-2-thione is sourced from PubChem (CID 122534221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).