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

C5H7N3S — CID 83669570

IUPAC5-amino-2-methyl-1H-pyrimidine-6-thione
SMILESCc1ncc(N)c(=S)[nH]1
InChIInChI=1S/C5H7N3S/c1-3-7-2-4(6)5(9)8-3/h2H,6H2,1H3,(H,7,8,9)
InChIKeyRZACXJGDLJMBLX-UHFFFAOYSA-N
MW141.20 g/mol
LogP1.03
Rot. Bonds

About 5-amino-2-methyl-1H-pyrimidine-6-thione

5-amino-2-methyl-1H-pyrimidine-6-thione (PubChem CID 83669570) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 5-amino-2-methyl-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name5-amino-2-methyl-1H-pyrimidine-6-thione
PubChem CID83669570
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name5-amino-2-methyl-1H-pyrimidine-6-thione
SMILESCc1ncc(N)c(=S)[nH]1
InChIInChI=1S/C5H7N3S/c1-3-7-2-4(6)5(9)8-3/h2H,6H2,1H3,(H,7,8,9)
InChIKeyRZACXJGDLJMBLX-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1H-pyrimidine-6-thione?
The IUPAC name of 5-amino-2-methyl-1H-pyrimidine-6-thione (CID 83669570) is 5-amino-2-methyl-1H-pyrimidine-6-thione.
What is the SMILES notation for 5-amino-2-methyl-1H-pyrimidine-6-thione?
The canonical SMILES for 5-amino-2-methyl-1H-pyrimidine-6-thione is Cc1ncc(N)c(=S)[nH]1.
What is the InChIKey of 5-amino-2-methyl-1H-pyrimidine-6-thione?
The InChIKey is RZACXJGDLJMBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c1-3-7-2-4(6)5(9)8-3/h2H,6H2,1H3,(H,7,8,9).
What are the key properties of 5-amino-2-methyl-1H-pyrimidine-6-thione?
5-amino-2-methyl-1H-pyrimidine-6-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 5-amino-2-methyl-1H-pyrimidine-6-thione is sourced from PubChem (CID 83669570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).