6-amino-1-methylpyrimidine-2-thione

C5H7N3S — CID 4156263

IUPAC6-amino-1-methylpyrimidine-2-thione
SMILESCn1c(N)ccnc1=S
InChIInChI=1S/C5H7N3S/c1-8-4(6)2-3-7-5(8)9/h2-3H,6H2,1H3
InChIKeyMCRNXSFNUQWYOS-UHFFFAOYSA-N
MW141.20 g/mol
LogP0.73
Rot. Bonds

About 6-amino-1-methylpyrimidine-2-thione

6-amino-1-methylpyrimidine-2-thione (PubChem CID 4156263) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 6-amino-1-methylpyrimidine-2-thione.

Molecular Properties

Compound Name6-amino-1-methylpyrimidine-2-thione
PubChem CID4156263
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name6-amino-1-methylpyrimidine-2-thione
SMILESCn1c(N)ccnc1=S
InChIInChI=1S/C5H7N3S/c1-8-4(6)2-3-7-5(8)9/h2-3H,6H2,1H3
InChIKeyMCRNXSFNUQWYOS-UHFFFAOYSA-N
XLogP0.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-1-methylpyrimidine-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-1-methylpyrimidine-2-thione?
The IUPAC name of 6-amino-1-methylpyrimidine-2-thione (CID 4156263) is 6-amino-1-methylpyrimidine-2-thione.
What is the SMILES notation for 6-amino-1-methylpyrimidine-2-thione?
The canonical SMILES for 6-amino-1-methylpyrimidine-2-thione is Cn1c(N)ccnc1=S.
What is the InChIKey of 6-amino-1-methylpyrimidine-2-thione?
The InChIKey is MCRNXSFNUQWYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c1-8-4(6)2-3-7-5(8)9/h2-3H,6H2,1H3.
What are the key properties of 6-amino-1-methylpyrimidine-2-thione?
6-amino-1-methylpyrimidine-2-thione has a molecular weight of 141.20 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methylpyrimidine-2-thione is sourced from PubChem (CID 4156263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).