6-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione

C10H16N4S — CID 2322592

IUPAC6-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione
SMILESCc1cc(N2CCN(C)CC2)nc(=S)[nH]1
InChIInChI=1S/C10H16N4S/c1-8-7-9(12-10(15)11-8)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3,(H,11,12,15)
InChIKeyKJGKPCDBISZDKP-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.20
Rot. Bonds1

About 6-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione

6-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione (PubChem CID 2322592) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 6-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione
PubChem CID2322592
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name6-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione
SMILESCc1cc(N2CCN(C)CC2)nc(=S)[nH]1
InChIInChI=1S/C10H16N4S/c1-8-7-9(12-10(15)11-8)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3,(H,11,12,15)
InChIKeyKJGKPCDBISZDKP-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
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-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione?
The IUPAC name of 6-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione (CID 2322592) is 6-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione is Cc1cc(N2CCN(C)CC2)nc(=S)[nH]1.
What is the InChIKey of 6-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione?
The InChIKey is KJGKPCDBISZDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-8-7-9(12-10(15)11-8)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3,(H,11,12,15).
What are the key properties of 6-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione?
6-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione has a molecular weight of 224.33 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 2322592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).