6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione

C15H24N4S — CID 106481886

IUPAC6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione
SMILESCN1CCN(C)C(c2nc(=S)cc(C3CCCC3)[nH]2)C1
InChIInChI=1S/C15H24N4S/c1-18-7-8-19(2)13(10-18)15-16-12(9-14(20)17-15)11-5-3-4-6-11/h9,11,13H,3-8,10H2,1-2H3,(H,16,17,20)
InChIKeyAFEKYDDWRJDGKS-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.72
Rot. Bonds2

About 6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione

6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106481886) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106481886
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione
SMILESCN1CCN(C)C(c2nc(=S)cc(C3CCCC3)[nH]2)C1
InChIInChI=1S/C15H24N4S/c1-18-7-8-19(2)13(10-18)15-16-12(9-14(20)17-15)11-5-3-4-6-11/h9,11,13H,3-8,10H2,1-2H3,(H,16,17,20)
InChIKeyAFEKYDDWRJDGKS-UHFFFAOYSA-N
XLogP2.72
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione (CID 106481886) is 6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione is CN1CCN(C)C(c2nc(=S)cc(C3CCCC3)[nH]2)C1.
What is the InChIKey of 6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is AFEKYDDWRJDGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-18-7-8-19(2)13(10-18)15-16-12(9-14(20)17-15)11-5-3-4-6-11/h9,11,13H,3-8,10H2,1-2H3,(H,16,17,20).
What are the key properties of 6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione?
6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 292.45 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).