4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide

C10H13ClN4O2S — CID 132892148

IUPAC4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide
SMILESO=S1(=O)CC2NCCN(c3ccnc(Cl)n3)C2C1
InChIInChI=1S/C10H13ClN4O2S/c11-10-13-2-1-9(14-10)15-4-3-12-7-5-18(16,17)6-8(7)15/h1-2,7-8,12H,3-6H2
InChIKeyFUBWZSFSTXETPC-UHFFFAOYSA-N
MW288.76 g/mol
LogP-0.29
Rot. Bonds1

About 4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide

4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide (PubChem CID 132892148) has the molecular formula C10H13ClN4O2S and a molecular weight of 288.76 g/mol. Its IUPAC name is 4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide.

Molecular Properties

Compound Name4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide
PubChem CID132892148
Molecular FormulaC10H13ClN4O2S
Molecular Weight288.76 g/mol
Exact Mass288.04
IUPAC Name4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide
SMILESO=S1(=O)CC2NCCN(c3ccnc(Cl)n3)C2C1
InChIInChI=1S/C10H13ClN4O2S/c11-10-13-2-1-9(14-10)15-4-3-12-7-5-18(16,17)6-8(7)15/h1-2,7-8,12H,3-6H2
InChIKeyFUBWZSFSTXETPC-UHFFFAOYSA-N
XLogP-0.29
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide?
The IUPAC name of 4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide (CID 132892148) is 4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide.
What is the SMILES notation for 4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide?
The canonical SMILES for 4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide is O=S1(=O)CC2NCCN(c3ccnc(Cl)n3)C2C1.
What is the InChIKey of 4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide?
The InChIKey is FUBWZSFSTXETPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2S/c11-10-13-2-1-9(14-10)15-4-3-12-7-5-18(16,17)6-8(7)15/h1-2,7-8,12H,3-6H2.
What are the key properties of 4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide?
4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide has a molecular weight of 288.76 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide is sourced from PubChem (CID 132892148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).