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

C10H16N4S — CID 106475554

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

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

6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione (PubChem CID 106475554) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
PubChem CID106475554
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(N2CCN(C)CC2)[nH]1
InChIInChI=1S/C10H16N4S/c1-8-7-9(15)12-10(11-8)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3,(H,11,12,15)
InChIKeySUVRSNHEDKFUEQ-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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Related Compounds

4-Methyl-6-(4-methylpiperazinyl)pyrimidine-2-thiol
CID 2322592
5-amino-2-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 20085434
6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidine-2-thione
CID 2322591
6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 17606449
4-Methyl-6-(4-methylpiperazinyl)pyrimidine-2-thiol, chloride
CID 43833964
2-(4-methylpiperazin-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475046
2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 106475698
6-tert-butyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106475804
6-ethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106476055
2-(4-methylpiperazin-1-yl)-1H-pyrimidine-6-thione
CID 106476301
5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106476577
5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106478974

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione (CID 106475554) is 6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(N2CCN(C)CC2)[nH]1.
What is the InChIKey of 6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
The InChIKey is SUVRSNHEDKFUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-8-7-9(15)12-10(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-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-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-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).