1-propylpyrimidine-2-thione

C7H10N2S — CID 54416675

IUPAC1-propylpyrimidine-2-thione
SMILESCCCn1cccnc1=S
InChIInChI=1S/C7H10N2S/c1-2-5-9-6-3-4-8-7(9)10/h3-4,6H,2,5H2,1H3
InChIKeyVXYATBMBLBWRIN-UHFFFAOYSA-N
MW154.24 g/mol
LogP2.02
Rot. Bonds2

About 1-propylpyrimidine-2-thione

1-propylpyrimidine-2-thione (PubChem CID 54416675) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 1-propylpyrimidine-2-thione.

Molecular Properties

Compound Name1-propylpyrimidine-2-thione
PubChem CID54416675
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name1-propylpyrimidine-2-thione
SMILESCCCn1cccnc1=S
InChIInChI=1S/C7H10N2S/c1-2-5-9-6-3-4-8-7(9)10/h3-4,6H,2,5H2,1H3
InChIKeyVXYATBMBLBWRIN-UHFFFAOYSA-N
XLogP2.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 52.02
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 1-propylpyrimidine-2-thione?
The IUPAC name of 1-propylpyrimidine-2-thione (CID 54416675) is 1-propylpyrimidine-2-thione.
What is the SMILES notation for 1-propylpyrimidine-2-thione?
The canonical SMILES for 1-propylpyrimidine-2-thione is CCCn1cccnc1=S.
What is the InChIKey of 1-propylpyrimidine-2-thione?
The InChIKey is VXYATBMBLBWRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-5-9-6-3-4-8-7(9)10/h3-4,6H,2,5H2,1H3.
What are the key properties of 1-propylpyrimidine-2-thione?
1-propylpyrimidine-2-thione has a molecular weight of 154.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyrimidine-2-thione is sourced from PubChem (CID 54416675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).