2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide

C20H25N5OS2 — CID 17465237

IUPAC2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCc1sc2nc(-c3cccs3)nc(N3CCN(CC(=O)N(C)C)CC3)c2c1C
InChIInChI=1S/C20H25N5OS2/c1-13-14(2)28-20-17(13)19(21-18(22-20)15-6-5-11-27-15)25-9-7-24(8-10-25)12-16(26)23(3)4/h5-6,11H,7-10,12H2,1-4H3
InChIKeyIIQWWVKEQDUPPN-UHFFFAOYSA-N
MW415.59 g/mol
LogP3.25
Rot. Bonds4

About 2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide

2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 17465237) has the molecular formula C20H25N5OS2 and a molecular weight of 415.59 g/mol. Its IUPAC name is 2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID17465237
Molecular FormulaC20H25N5OS2
Molecular Weight415.59 g/mol
Exact Mass415.15
IUPAC Name2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCc1sc2nc(-c3cccs3)nc(N3CCN(CC(=O)N(C)C)CC3)c2c1C
InChIInChI=1S/C20H25N5OS2/c1-13-14(2)28-20-17(13)19(21-18(22-20)15-6-5-11-27-15)25-9-7-24(8-10-25)12-16(26)23(3)4/h5-6,11H,7-10,12H2,1-4H3
InChIKeyIIQWWVKEQDUPPN-UHFFFAOYSA-N
XLogP3.25
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.59
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide (CID 17465237) is 2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide is Cc1sc2nc(-c3cccs3)nc(N3CCN(CC(=O)N(C)C)CC3)c2c1C.
What is the InChIKey of 2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is IIQWWVKEQDUPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS2/c1-13-14(2)28-20-17(13)19(21-18(22-20)15-6-5-11-27-15)25-9-7-24(8-10-25)12-16(26)23(3)4/h5-6,11H,7-10,12H2,1-4H3.
What are the key properties of 2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 415.59 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 17465237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).