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

C10H16N4S — CID 106476402

IUPAC2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione
SMILESCN1CCN(C)C(c2nccc(=S)[nH]2)C1
InChIInChI=1S/C10H16N4S/c1-13-5-6-14(2)8(7-13)10-11-4-3-9(15)12-10/h3-4,8H,5-7H2,1-2H3,(H,11,12,15)
InChIKeyPYQFDJSZBHUAIW-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.06
Rot. Bonds1

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

2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione (PubChem CID 106476402) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione
PubChem CID106476402
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione
SMILESCN1CCN(C)C(c2nccc(=S)[nH]2)C1
InChIInChI=1S/C10H16N4S/c1-13-5-6-14(2)8(7-13)10-11-4-3-9(15)12-10/h3-4,8H,5-7H2,1-2H3,(H,11,12,15)
InChIKeyPYQFDJSZBHUAIW-UHFFFAOYSA-N
XLogP1.06
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-dimethylpiperazin-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475646
2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475718
2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-6-thione
CID 106476326
2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione
CID 106476418
2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidine-6-thione
CID 106476443
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-pyrimidine-6-thione
CID 106476468
2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-6-thione
CID 106476487
5-bromo-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione
CID 106480863
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-6-thione
CID 106480944
2-[2-(dimethylamino)ethyl]-1H-pyrimidine-6-thione
CID 121604051

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione (CID 106476402) is 2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione is CN1CCN(C)C(c2nccc(=S)[nH]2)C1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione?
The InChIKey is PYQFDJSZBHUAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-13-5-6-14(2)8(7-13)10-11-4-3-9(15)12-10/h3-4,8H,5-7H2,1-2H3,(H,11,12,15).
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione?
2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione has a molecular weight of 224.33 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).