2-amino-6-methyl-1H-pyrimidine-4-thione

C5H7N3S — CID 2781477

IUPAC2-amino-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(N)[nH]1
InChIInChI=1S/C5H7N3S/c1-3-2-4(9)8-5(6)7-3/h2H,1H3,(H3,6,7,8,9)
InChIKeyVWMGCVRJTGJRSS-UHFFFAOYSA-N
MW141.20 g/mol
LogP1.03
Rot. Bonds

About 2-amino-6-methyl-1H-pyrimidine-4-thione

2-amino-6-methyl-1H-pyrimidine-4-thione (PubChem CID 2781477) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 2-amino-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-amino-6-methyl-1H-pyrimidine-4-thione
PubChem CID2781477
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name2-amino-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(N)[nH]1
InChIInChI=1S/C5H7N3S/c1-3-2-4(9)8-5(6)7-3/h2H,1H3,(H3,6,7,8,9)
InChIKeyVWMGCVRJTGJRSS-UHFFFAOYSA-N
XLogP1.03
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-6-methyl-1H-pyrimidine-4-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 2-amino-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-amino-6-methyl-1H-pyrimidine-4-thione (CID 2781477) is 2-amino-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-amino-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-amino-6-methyl-1H-pyrimidine-4-thione is Cc1cc(=S)nc(N)[nH]1.
What is the InChIKey of 2-amino-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is VWMGCVRJTGJRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c1-3-2-4(9)8-5(6)7-3/h2H,1H3,(H3,6,7,8,9).
What are the key properties of 2-amino-6-methyl-1H-pyrimidine-4-thione?
2-amino-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 141.20 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 2781477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).