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

C12H20N4S — CID 106476147

IUPAC2-(1,4-dimethylpiperazin-2-yl)-6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C2CN(C)CCN2C)[nH]1
InChIInChI=1S/C12H20N4S/c1-4-9-7-11(17)14-12(13-9)10-8-15(2)5-6-16(10)3/h7,10H,4-6,8H2,1-3H3,(H,13,14,17)
InChIKeyZLFLQWINCVBNIG-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.62
Rot. Bonds2

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

2-(1,4-dimethylpiperazin-2-yl)-6-ethyl-1H-pyrimidine-4-thione (PubChem CID 106476147) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-6-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-6-ethyl-1H-pyrimidine-4-thione
PubChem CID106476147
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C2CN(C)CCN2C)[nH]1
InChIInChI=1S/C12H20N4S/c1-4-9-7-11(17)14-12(13-9)10-8-15(2)5-6-16(10)3/h7,10H,4-6,8H2,1-3H3,(H,13,14,17)
InChIKeyZLFLQWINCVBNIG-UHFFFAOYSA-N
XLogP1.62
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.62
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

7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine
CID 91305367
2-(1,4-dimethylpiperazin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475132
2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475148
2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475169
2-(1,4-dimethyl-1,4-diazepan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475170
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475193
2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475204
2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475212
2-(1,4-dimethylpiperazin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475390
2-[2-(diethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475406
2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475424
2-(1,4-dimethyl-1,4-diazepan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475425

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-6-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-6-ethyl-1H-pyrimidine-4-thione (CID 106476147) is 2-(1,4-dimethylpiperazin-2-yl)-6-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-6-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-6-ethyl-1H-pyrimidine-4-thione is CCc1cc(=S)nc(C2CN(C)CCN2C)[nH]1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-6-ethyl-1H-pyrimidine-4-thione?
The InChIKey is ZLFLQWINCVBNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-4-9-7-11(17)14-12(13-9)10-8-15(2)5-6-16(10)3/h7,10H,4-6,8H2,1-3H3,(H,13,14,17).
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-6-ethyl-1H-pyrimidine-4-thione?
2-(1,4-dimethylpiperazin-2-yl)-6-ethyl-1H-pyrimidine-4-thione has a molecular weight of 252.39 g/mol, XLogP of 1.62, 2 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)-6-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).