2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol

C18H26N4OS — CID 46966117

IUPAC2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol
SMILESCc1cc(C)nc(N2CCN(CC(O)c3cc(C)sc3C)CC2)n1
InChIInChI=1S/C18H26N4OS/c1-12-9-13(2)20-18(19-12)22-7-5-21(6-8-22)11-17(23)16-10-14(3)24-15(16)4/h9-10,17,23H,5-8,11H2,1-4H3
InChIKeyGNSOCSHWQKNINS-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.63
Rot. Bonds4

About 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol

2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol (PubChem CID 46966117) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol
PubChem CID46966117
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol
SMILESCc1cc(C)nc(N2CCN(CC(O)c3cc(C)sc3C)CC2)n1
InChIInChI=1S/C18H26N4OS/c1-12-9-13(2)20-18(19-12)22-7-5-21(6-8-22)11-17(23)16-10-14(3)24-15(16)4/h9-10,17,23H,5-8,11H2,1-4H3
InChIKeyGNSOCSHWQKNINS-UHFFFAOYSA-N
XLogP2.63
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol?
The IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol (CID 46966117) is 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol.
What is the SMILES notation for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol?
The canonical SMILES for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol is Cc1cc(C)nc(N2CCN(CC(O)c3cc(C)sc3C)CC2)n1.
What is the InChIKey of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol?
The InChIKey is GNSOCSHWQKNINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-12-9-13(2)20-18(19-12)22-7-5-21(6-8-22)11-17(23)16-10-14(3)24-15(16)4/h9-10,17,23H,5-8,11H2,1-4H3.
What are the key properties of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol?
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol has a molecular weight of 346.50 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol is sourced from PubChem (CID 46966117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).