3-propan-2-ylpyrimidine-4-thione

C7H10N2S — CID 59386650

IUPAC3-propan-2-ylpyrimidine-4-thione
SMILESCC(C)n1cnccc1=S
InChIInChI=1S/C7H10N2S/c1-6(2)9-5-8-4-3-7(9)10/h3-6H,1-2H3
InChIKeyMZWORJLKVLUEJP-UHFFFAOYSA-N
MW154.24 g/mol
LogP2.19
Rot. Bonds1

About 3-propan-2-ylpyrimidine-4-thione

3-propan-2-ylpyrimidine-4-thione (PubChem CID 59386650) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 3-propan-2-ylpyrimidine-4-thione.

Molecular Properties

Compound Name3-propan-2-ylpyrimidine-4-thione
PubChem CID59386650
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name3-propan-2-ylpyrimidine-4-thione
SMILESCC(C)n1cnccc1=S
InChIInChI=1S/C7H10N2S/c1-6(2)9-5-8-4-3-7(9)10/h3-6H,1-2H3
InChIKeyMZWORJLKVLUEJP-UHFFFAOYSA-N
XLogP2.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
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 3-propan-2-ylpyrimidine-4-thione?
The IUPAC name of 3-propan-2-ylpyrimidine-4-thione (CID 59386650) is 3-propan-2-ylpyrimidine-4-thione.
What is the SMILES notation for 3-propan-2-ylpyrimidine-4-thione?
The canonical SMILES for 3-propan-2-ylpyrimidine-4-thione is CC(C)n1cnccc1=S.
What is the InChIKey of 3-propan-2-ylpyrimidine-4-thione?
The InChIKey is MZWORJLKVLUEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-6(2)9-5-8-4-3-7(9)10/h3-6H,1-2H3.
What are the key properties of 3-propan-2-ylpyrimidine-4-thione?
3-propan-2-ylpyrimidine-4-thione has a molecular weight of 154.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpyrimidine-4-thione is sourced from PubChem (CID 59386650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).