4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine

C11H15N4S+ — CID 7044025

IUPAC4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine
SMILESC[NH+]1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C11H14N4S/c1-14-3-5-15(6-4-14)10-9-2-7-16-11(9)13-8-12-10/h2,7-8H,3-6H2,1H3/p+1
InChIKeyUAVFTOOOCCDRMZ-UHFFFAOYSA-O
MW235.34 g/mol
LogP0.03
Rot. Bonds1

About 4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine

4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 7044025) has the molecular formula C11H15N4S+ and a molecular weight of 235.34 g/mol. Its IUPAC name is 4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine
PubChem CID7044025
Molecular FormulaC11H15N4S+
Molecular Weight235.34 g/mol
Exact Mass235.10
IUPAC Name4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine
SMILESC[NH+]1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C11H14N4S/c1-14-3-5-15(6-4-14)10-9-2-7-16-11(9)13-8-12-10/h2,7-8H,3-6H2,1H3/p+1
InChIKeyUAVFTOOOCCDRMZ-UHFFFAOYSA-O
XLogP0.03
TPSA33.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine (CID 7044025) is 4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine is C[NH+]1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is UAVFTOOOCCDRMZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14N4S/c1-14-3-5-15(6-4-14)10-9-2-7-16-11(9)13-8-12-10/h2,7-8H,3-6H2,1H3/p+1.
What are the key properties of 4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine?
4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 235.34 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 7044025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).