[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

C17H18N4O2S — CID 830963

IUPAC[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCc1cc2c(N3CCN(C(=O)c4ccco4)CC3)ncnc2s1
InChIInChI=1S/C17H18N4O2S/c1-2-12-10-13-15(18-11-19-16(13)24-12)20-5-7-21(8-6-20)17(22)14-4-3-9-23-14/h3-4,9-11H,2,5-8H2,1H3
InChIKeyGWNIGANSXBNWNV-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.81
Rot. Bonds3

About [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 830963) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID830963
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCc1cc2c(N3CCN(C(=O)c4ccco4)CC3)ncnc2s1
InChIInChI=1S/C17H18N4O2S/c1-2-12-10-13-15(18-11-19-16(13)24-12)20-5-7-21(8-6-20)17(22)14-4-3-9-23-14/h3-4,9-11H,2,5-8H2,1H3
InChIKeyGWNIGANSXBNWNV-UHFFFAOYSA-N
XLogP2.81
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 830963) is [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is CCc1cc2c(N3CCN(C(=O)c4ccco4)CC3)ncnc2s1.
What is the InChIKey of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is GWNIGANSXBNWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-2-12-10-13-15(18-11-19-16(13)24-12)20-5-7-21(8-6-20)17(22)14-4-3-9-23-14/h3-4,9-11H,2,5-8H2,1H3.
What are the key properties of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 342.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 830963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).