5,6-diamino-2-methyl-1H-pyrimidine-4-thione

C5H8N4S — CID 5373477

IUPAC5,6-diamino-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)c(N)c(N)[nH]1
InChIInChI=1S/C5H8N4S/c1-2-8-4(7)3(6)5(10)9-2/h6H2,1H3,(H3,7,8,9,10)
InChIKeyXQHZSGRHMFXIDS-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.61
Rot. Bonds

About 5,6-diamino-2-methyl-1H-pyrimidine-4-thione

5,6-diamino-2-methyl-1H-pyrimidine-4-thione (PubChem CID 5373477) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 5,6-diamino-2-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-diamino-2-methyl-1H-pyrimidine-4-thione
PubChem CID5373477
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name5,6-diamino-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)c(N)c(N)[nH]1
InChIInChI=1S/C5H8N4S/c1-2-8-4(7)3(6)5(10)9-2/h6H2,1H3,(H3,7,8,9,10)
InChIKeyXQHZSGRHMFXIDS-UHFFFAOYSA-N
XLogP0.61
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 5,6-diamino-2-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-diamino-2-methyl-1H-pyrimidine-4-thione (CID 5373477) is 5,6-diamino-2-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-diamino-2-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-diamino-2-methyl-1H-pyrimidine-4-thione is Cc1nc(=S)c(N)c(N)[nH]1.
What is the InChIKey of 5,6-diamino-2-methyl-1H-pyrimidine-4-thione?
The InChIKey is XQHZSGRHMFXIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-2-8-4(7)3(6)5(10)9-2/h6H2,1H3,(H3,7,8,9,10).
What are the key properties of 5,6-diamino-2-methyl-1H-pyrimidine-4-thione?
5,6-diamino-2-methyl-1H-pyrimidine-4-thione has a molecular weight of 156.21 g/mol, XLogP of 0.61, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-2-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 5373477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).