5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione

C11H18N4S — CID 106476577

IUPAC5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N2CCN(C)CC2)nc(=S)c1C
InChIInChI=1S/C11H18N4S/c1-8-9(2)12-11(13-10(8)16)15-6-4-14(3)5-7-15/h4-7H2,1-3H3,(H,12,13,16)
InChIKeyQTFFLMIEHSWVIS-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.51
Rot. Bonds1

About 5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione

5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione (PubChem CID 106476577) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
PubChem CID106476577
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N2CCN(C)CC2)nc(=S)c1C
InChIInChI=1S/C11H18N4S/c1-8-9(2)12-11(13-10(8)16)15-6-4-14(3)5-7-15/h4-7H2,1-3H3,(H,12,13,16)
InChIKeyQTFFLMIEHSWVIS-UHFFFAOYSA-N
XLogP1.51
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.51
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

5-amino-2-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 20085434
6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106475554
5,6-dimethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106476605
2-(diethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476721
5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106476824
6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477832
6-ethyl-5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106478085
5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106478974
2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481533
2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
CID 113839935

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione (CID 106476577) is 5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione is Cc1[nH]c(N2CCN(C)CC2)nc(=S)c1C.
What is the InChIKey of 5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
The InChIKey is QTFFLMIEHSWVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-8-9(2)12-11(13-10(8)16)15-6-4-14(3)5-7-15/h4-7H2,1-3H3,(H,12,13,16).
What are the key properties of 5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione has a molecular weight of 238.36 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).