2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione

C14H24N4S — CID 106475212

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(CC2CN(C)CCN2C)[nH]1
InChIInChI=1S/C14H24N4S/c1-4-5-11-8-14(19)16-13(15-11)9-12-10-17(2)6-7-18(12)3/h8,12H,4-7,9-10H2,1-3H3,(H,15,16,19)
InChIKeyZMFAALIANZCBHA-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.88
Rot. Bonds4

About 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione

2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475212) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475212
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(CC2CN(C)CCN2C)[nH]1
InChIInChI=1S/C14H24N4S/c1-4-5-11-8-14(19)16-13(15-11)9-12-10-17(2)6-7-18(12)3/h8,12H,4-7,9-10H2,1-3H3,(H,15,16,19)
InChIKeyZMFAALIANZCBHA-UHFFFAOYSA-N
XLogP1.88
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.88
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

7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine
CID 91305367
2-(4-methylpiperazin-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475046
2-(1,4-dimethylpiperazin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475132
2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475148
2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475169
2-(1,4-dimethyl-1,4-diazepan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475170
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475193
2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475204
2-(1,4-dimethylpiperazin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475390
2-(1,4-dimethyl-1,4-diazepan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475425
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475446
2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475466

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione (CID 106475212) is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(CC2CN(C)CCN2C)[nH]1.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is ZMFAALIANZCBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-4-5-11-8-14(19)16-13(15-11)9-12-10-17(2)6-7-18(12)3/h8,12H,4-7,9-10H2,1-3H3,(H,15,16,19).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione?
2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 280.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).