2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

C11H16N4S2 — CID 106481533

IUPAC2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCN1CCN(c2nc(=S)c3c([nH]2)CSC3)CC1
InChIInChI=1S/C11H16N4S2/c1-14-2-4-15(5-3-14)11-12-9-7-17-6-8(9)10(16)13-11/h2-7H2,1H3,(H,12,13,16)
InChIKeyLNQXNHARVDMRCM-UHFFFAOYSA-N
MW268.41 g/mol
LogP1.64
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481533) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481533
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCN1CCN(c2nc(=S)c3c([nH]2)CSC3)CC1
InChIInChI=1S/C11H16N4S2/c1-14-2-4-15(5-3-14)11-12-9-7-17-6-8(9)10(16)13-11/h2-7H2,1H3,(H,12,13,16)
InChIKeyLNQXNHARVDMRCM-UHFFFAOYSA-N
XLogP1.64
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106476577
2-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481559
2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481560
2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481685
2-(1,4-dimethylpiperazin-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 113839829

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481533) is 2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is CN1CCN(c2nc(=S)c3c([nH]2)CSC3)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is LNQXNHARVDMRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-14-2-4-15(5-3-14)11-12-9-7-17-6-8(9)10(16)13-11/h2-7H2,1H3,(H,12,13,16).
What are the key properties of 2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 268.41 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).