1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol

C19H22N6O — CID 22088662

IUPAC1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2CCN(c3cnc4ccccc4n3)C(C)C2)n1
InChIInChI=1S/C19H22N6O/c1-13-12-24(17-7-8-20-19(23-17)14(2)26)9-10-25(13)18-11-21-15-5-3-4-6-16(15)22-18/h3-8,11,13-14,26H,9-10,12H2,1-2H3
InChIKeyNTINFSTYXXIIBQ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.19
Rot. Bonds3

About 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol

1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol (PubChem CID 22088662) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol
PubChem CID22088662
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2CCN(c3cnc4ccccc4n3)C(C)C2)n1
InChIInChI=1S/C19H22N6O/c1-13-12-24(17-7-8-20-19(23-17)14(2)26)9-10-25(13)18-11-21-15-5-3-4-6-16(15)22-18/h3-8,11,13-14,26H,9-10,12H2,1-2H3
InChIKeyNTINFSTYXXIIBQ-UHFFFAOYSA-N
XLogP2.19
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(3R)-4-[5-deuterio-2-[(1R)-1-hydroxyethyl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]acetaldehyde
CID 91575172
1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22328723
(2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol
CID 98763653
(3R)-3-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]butanoic acid
CID 57265869
(1R)-1-[4-[(2R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 10980854
(1R)-1-[4-[(2S)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 11046187
2-(4-cyclopropyl-2-methylpiperazin-1-yl)quinoxaline
CID 162634693
(1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 59984439
1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22088649
pyridin-3-yl 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-2-phenylpiperazine-1-carboxylate
CID 22088688
(1S)-1-[4-[(2R,6S)-4-[4-[(1S)-1-hydroxyethyl]-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 10133091
1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 90916352

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol?
The IUPAC name of 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol (CID 22088662) is 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol.
What is the SMILES notation for 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol?
The canonical SMILES for 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol is CC(O)c1nccc(N2CCN(c3cnc4ccccc4n3)C(C)C2)n1.
What is the InChIKey of 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol?
The InChIKey is NTINFSTYXXIIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-12-24(17-7-8-20-19(23-17)14(2)26)9-10-25(13)18-11-21-15-5-3-4-6-16(15)22-18/h3-8,11,13-14,26H,9-10,12H2,1-2H3.
What are the key properties of 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol?
1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol has a molecular weight of 350.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol is sourced from PubChem (CID 22088662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).