4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine

C18H18N8S — CID 163345062

IUPAC4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nccn1-c1ccc(N2CCN(c3ncnc4sccc34)CC2)nn1
InChIInChI=1S/C18H18N8S/c1-13-19-5-6-26(13)16-3-2-15(22-23-16)24-7-9-25(10-8-24)17-14-4-11-27-18(14)21-12-20-17/h2-6,11-12H,7-10H2,1H3
InChIKeyJYGMUUSFTJQMBW-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.30
Rot. Bonds3

About 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine

4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 163345062) has the molecular formula C18H18N8S and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID163345062
Molecular FormulaC18H18N8S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nccn1-c1ccc(N2CCN(c3ncnc4sccc34)CC2)nn1
InChIInChI=1S/C18H18N8S/c1-13-19-5-6-26(13)16-3-2-15(22-23-16)24-7-9-25(10-8-24)17-14-4-11-27-18(14)21-12-20-17/h2-6,11-12H,7-10H2,1H3
InChIKeyJYGMUUSFTJQMBW-UHFFFAOYSA-N
XLogP2.30
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 163345062) is 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine is Cc1nccn1-c1ccc(N2CCN(c3ncnc4sccc34)CC2)nn1.
What is the InChIKey of 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is JYGMUUSFTJQMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8S/c1-13-19-5-6-26(13)16-3-2-15(22-23-16)24-7-9-25(10-8-24)17-14-4-11-27-18(14)21-12-20-17/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 378.47 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 163345062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).