4,6-diamino-1-methylpyrimidine-2-thione

C5H8N4S — CID 11008167

IUPAC4,6-diamino-1-methylpyrimidine-2-thione
SMILESCn1c(N)cc(N)nc1=S
InChIInChI=1S/C5H8N4S/c1-9-4(7)2-3(6)8-5(9)10/h2H,7H2,1H3,(H2,6,8,10)
InChIKeyNJMBSOZNBFHHFN-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.31
Rot. Bonds

About 4,6-diamino-1-methylpyrimidine-2-thione

4,6-diamino-1-methylpyrimidine-2-thione (PubChem CID 11008167) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 4,6-diamino-1-methylpyrimidine-2-thione.

Molecular Properties

Compound Name4,6-diamino-1-methylpyrimidine-2-thione
PubChem CID11008167
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name4,6-diamino-1-methylpyrimidine-2-thione
SMILESCn1c(N)cc(N)nc1=S
InChIInChI=1S/C5H8N4S/c1-9-4(7)2-3(6)8-5(9)10/h2H,7H2,1H3,(H2,6,8,10)
InChIKeyNJMBSOZNBFHHFN-UHFFFAOYSA-N
XLogP0.31
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4,6-diamino-1-methylpyrimidine-2-thione?
The IUPAC name of 4,6-diamino-1-methylpyrimidine-2-thione (CID 11008167) is 4,6-diamino-1-methylpyrimidine-2-thione.
What is the SMILES notation for 4,6-diamino-1-methylpyrimidine-2-thione?
The canonical SMILES for 4,6-diamino-1-methylpyrimidine-2-thione is Cn1c(N)cc(N)nc1=S.
What is the InChIKey of 4,6-diamino-1-methylpyrimidine-2-thione?
The InChIKey is NJMBSOZNBFHHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-9-4(7)2-3(6)8-5(9)10/h2H,7H2,1H3,(H2,6,8,10).
What are the key properties of 4,6-diamino-1-methylpyrimidine-2-thione?
4,6-diamino-1-methylpyrimidine-2-thione has a molecular weight of 156.21 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-1-methylpyrimidine-2-thione is sourced from PubChem (CID 11008167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).