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

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

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Related Compounds

(1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol
CID 92600875
(1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol
CID 51872207
6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid
CID 107553845
1-[(2S)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51597203
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51597205
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine
CID 99827479
bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 150598584
1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332858
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 109378461
1-(2,5-dimethylthiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045984
1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861135

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).