4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine

C12H16N4S — CID 55091235

IUPAC4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine
SMILESCC1CN(c2ncnc3ccsc23)CC(C)N1
InChIInChI=1S/C12H16N4S/c1-8-5-16(6-9(2)15-8)12-11-10(3-4-17-11)13-7-14-12/h3-4,7-9,15H,5-6H2,1-2H3
InChIKeyGOEIWHKIUVWFHE-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.88
Rot. Bonds1

About 4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine

4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine (PubChem CID 55091235) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine
PubChem CID55091235
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine
SMILESCC1CN(c2ncnc3ccsc23)CC(C)N1
InChIInChI=1S/C12H16N4S/c1-8-5-16(6-9(2)15-8)12-11-10(3-4-17-11)13-7-14-12/h3-4,7-9,15H,5-6H2,1-2H3
InChIKeyGOEIWHKIUVWFHE-UHFFFAOYSA-N
XLogP1.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine (CID 55091235) is 4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine is CC1CN(c2ncnc3ccsc23)CC(C)N1.
What is the InChIKey of 4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine?
The InChIKey is GOEIWHKIUVWFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-5-16(6-9(2)15-8)12-11-10(3-4-17-11)13-7-14-12/h3-4,7-9,15H,5-6H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine?
4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine has a molecular weight of 248.35 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 55091235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).