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

C13H22N4S — CID 106481268

IUPAC2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(N2CCN(C)CC2)[nH]1
InChIInChI=1S/C13H22N4S/c1-10(2)8-11-9-12(18)15-13(14-11)17-6-4-16(3)5-7-17/h9-10H,4-8H2,1-3H3,(H,14,15,18)
InChIKeyCSWDCXHROHTMDH-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.09
Rot. Bonds3

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

2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (PubChem CID 106481268) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
PubChem CID106481268
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(N2CCN(C)CC2)[nH]1
InChIInChI=1S/C13H22N4S/c1-10(2)8-11-9-12(18)15-13(14-11)17-6-4-16(3)5-7-17/h9-10H,4-8H2,1-3H3,(H,14,15,18)
InChIKeyCSWDCXHROHTMDH-UHFFFAOYSA-N
XLogP2.09
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.09
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-(1-Methylpiperidin-4-yl)-1,4-dihydropyrimidin-2-amine
CID 118303286
2-(4-methylpiperazin-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475046
2-piperidin-1-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475071
2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475190
2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475327
2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475443
6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106475554
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
6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106476082
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (CID 106481268) is 2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione is CC(C)Cc1cc(=S)nc(N2CCN(C)CC2)[nH]1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The InChIKey is CSWDCXHROHTMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-10(2)8-11-9-12(18)15-13(14-11)17-6-4-16(3)5-7-17/h9-10H,4-8H2,1-3H3,(H,14,15,18).
What are the key properties of 2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione has a molecular weight of 266.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).