2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol

C15H22N4OS — CID 6484478

IUPAC2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCCc1cc2c(N3CCN(CCO)CC3)nc(C)nc2s1
InChIInChI=1S/C15H22N4OS/c1-3-12-10-13-14(16-11(2)17-15(13)21-12)19-6-4-18(5-7-19)8-9-20/h10,20H,3-9H2,1-2H3
InChIKeyDFSXVYJYCBRPGA-UHFFFAOYSA-N
MW306.44 g/mol
LogP1.68
Rot. Bonds4

About 2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol

2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 6484478) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID6484478
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCCc1cc2c(N3CCN(CCO)CC3)nc(C)nc2s1
InChIInChI=1S/C15H22N4OS/c1-3-12-10-13-14(16-11(2)17-15(13)21-12)19-6-4-18(5-7-19)8-9-20/h10,20H,3-9H2,1-2H3
InChIKeyDFSXVYJYCBRPGA-UHFFFAOYSA-N
XLogP1.68
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol (CID 6484478) is 2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol is CCc1cc2c(N3CCN(CCO)CC3)nc(C)nc2s1.
What is the InChIKey of 2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is DFSXVYJYCBRPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-12-10-13-14(16-11(2)17-15(13)21-12)19-6-4-18(5-7-19)8-9-20/h10,20H,3-9H2,1-2H3.
What are the key properties of 2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 306.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 6484478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).