6-cyclopropyl-1H-pyrimidine-4-thione

C7H8N2S — CID 106478449

IUPAC6-cyclopropyl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]cn1
InChIInChI=1S/C7H8N2S/c10-7-3-6(5-1-2-5)8-4-9-7/h3-5H,1-2H2,(H,8,9,10)
InChIKeyGEWZRZUVLFAVFI-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.02
Rot. Bonds1

About 6-cyclopropyl-1H-pyrimidine-4-thione

6-cyclopropyl-1H-pyrimidine-4-thione (PubChem CID 106478449) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 6-cyclopropyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-1H-pyrimidine-4-thione
PubChem CID106478449
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name6-cyclopropyl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]cn1
InChIInChI=1S/C7H8N2S/c10-7-3-6(5-1-2-5)8-4-9-7/h3-5H,1-2H2,(H,8,9,10)
InChIKeyGEWZRZUVLFAVFI-UHFFFAOYSA-N
XLogP2.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-Cyclopropyl-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168017022
6-Propylpyrimidine-4-thiol
CID 52004866
6-ethyl-1H-pyrimidine-4-thione
CID 61236035
6-(Propan-2-yl)pyrimidine-4-thiol
CID 61240348
6-prop-2-enyl-1H-pyrimidine-4-thione
CID 144798521
6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione
CID 106478361
6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481376
6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione
CID 106516158
6-cyclopropyl-5-methyl-1H-pyrimidine-4-thione
CID 106516179
6-cyclopropyl-5-propyl-1H-pyrimidine-4-thione
CID 106516180
6-cyclopropyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106516198
6-butyl-1H-pyrimidine-4-thione
CID 106659496

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-1H-pyrimidine-4-thione (CID 106478449) is 6-cyclopropyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-1H-pyrimidine-4-thione is S=c1cc(C2CC2)[nH]cn1.
What is the InChIKey of 6-cyclopropyl-1H-pyrimidine-4-thione?
The InChIKey is GEWZRZUVLFAVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c10-7-3-6(5-1-2-5)8-4-9-7/h3-5H,1-2H2,(H,8,9,10).
What are the key properties of 6-cyclopropyl-1H-pyrimidine-4-thione?
6-cyclopropyl-1H-pyrimidine-4-thione has a molecular weight of 152.22 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).