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

C10H15BrN4S — CID 106478974

IUPAC5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N2CCN(C)CC2)nc(=S)c1Br
InChIInChI=1S/C10H15BrN4S/c1-7-8(11)9(16)13-10(12-7)15-5-3-14(2)4-6-15/h3-6H2,1-2H3,(H,12,13,16)
InChIKeyPOTCDICYAZNRDY-UHFFFAOYSA-N
MW303.23 g/mol
LogP1.96
Rot. Bonds1

About 5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione

5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione (PubChem CID 106478974) has the molecular formula C10H15BrN4S and a molecular weight of 303.23 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
PubChem CID106478974
Molecular FormulaC10H15BrN4S
Molecular Weight303.23 g/mol
Exact Mass302.02
IUPAC Name5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N2CCN(C)CC2)nc(=S)c1Br
InChIInChI=1S/C10H15BrN4S/c1-7-8(11)9(16)13-10(12-7)15-5-3-14(2)4-6-15/h3-6H2,1-2H3,(H,12,13,16)
InChIKeyPOTCDICYAZNRDY-UHFFFAOYSA-N
XLogP1.96
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 51.96
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

6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106475554
5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106476577
5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106479004
5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 106479127
5-bromo-6-tert-butyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106479497
5-bromo-2-(4-methylpiperazin-1-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106479997
5-bromo-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-6-thione
CID 106480764
5-bromo-2-(4-methylpiperazin-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 113839494
5-bromo-6-ethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 113839550

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione (CID 106478974) is 5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione is Cc1[nH]c(N2CCN(C)CC2)nc(=S)c1Br.
What is the InChIKey of 5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
The InChIKey is POTCDICYAZNRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4S/c1-7-8(11)9(16)13-10(12-7)15-5-3-14(2)4-6-15/h3-6H2,1-2H3,(H,12,13,16).
What are the key properties of 5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione has a molecular weight of 303.23 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).