6-propyl-1H-pyrimidine-2-thione

C7H10N2S — CID 12858767

IUPAC6-propyl-1H-pyrimidine-2-thione
SMILESCCCc1ccnc(=S)[nH]1
InChIInChI=1S/C7H10N2S/c1-2-3-6-4-5-8-7(10)9-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeySACRINBGNIWUIP-UHFFFAOYSA-N
MW154.24 g/mol
LogP2.09
Rot. Bonds2

About 6-propyl-1H-pyrimidine-2-thione

6-propyl-1H-pyrimidine-2-thione (PubChem CID 12858767) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 6-propyl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-propyl-1H-pyrimidine-2-thione
PubChem CID12858767
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name6-propyl-1H-pyrimidine-2-thione
SMILESCCCc1ccnc(=S)[nH]1
InChIInChI=1S/C7H10N2S/c1-2-3-6-4-5-8-7(10)9-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeySACRINBGNIWUIP-UHFFFAOYSA-N
XLogP2.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-propyl-1H-pyrimidine-2-thione?
The IUPAC name of 6-propyl-1H-pyrimidine-2-thione (CID 12858767) is 6-propyl-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-propyl-1H-pyrimidine-2-thione?
The canonical SMILES for 6-propyl-1H-pyrimidine-2-thione is CCCc1ccnc(=S)[nH]1.
What is the InChIKey of 6-propyl-1H-pyrimidine-2-thione?
The InChIKey is SACRINBGNIWUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-3-6-4-5-8-7(10)9-6/h4-5H,2-3H2,1H3,(H,8,9,10).
What are the key properties of 6-propyl-1H-pyrimidine-2-thione?
6-propyl-1H-pyrimidine-2-thione has a molecular weight of 154.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-1H-pyrimidine-2-thione is sourced from PubChem (CID 12858767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).