5-amino-2,6-dimethyl-1H-pyrimidine-4-thione

C6H9N3S — CID 83668811

IUPAC5-amino-2,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)c(N)c(C)[nH]1
InChIInChI=1S/C6H9N3S/c1-3-5(7)6(10)9-4(2)8-3/h7H2,1-2H3,(H,8,9,10)
InChIKeyIWGMUIPUZILAPL-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.34
Rot. Bonds

About 5-amino-2,6-dimethyl-1H-pyrimidine-4-thione

5-amino-2,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 83668811) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 5-amino-2,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-amino-2,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID83668811
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name5-amino-2,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)c(N)c(C)[nH]1
InChIInChI=1S/C6H9N3S/c1-3-5(7)6(10)9-4(2)8-3/h7H2,1-2H3,(H,8,9,10)
InChIKeyIWGMUIPUZILAPL-UHFFFAOYSA-N
XLogP1.34
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.34
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-2,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-amino-2,6-dimethyl-1H-pyrimidine-4-thione (CID 83668811) is 5-amino-2,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-amino-2,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-amino-2,6-dimethyl-1H-pyrimidine-4-thione is Cc1nc(=S)c(N)c(C)[nH]1.
What is the InChIKey of 5-amino-2,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is IWGMUIPUZILAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-3-5(7)6(10)9-4(2)8-3/h7H2,1-2H3,(H,8,9,10).
What are the key properties of 5-amino-2,6-dimethyl-1H-pyrimidine-4-thione?
5-amino-2,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 155.23 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 83668811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).