(1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol

C20H24N6O — CID 10937391

IUPAC(1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H]1CN(c2cnc3ccccc3n2)C[C@H](C)N1c1ccnc([C@@H](C)O)n1
InChIInChI=1S/C20H24N6O/c1-13-11-25(19-10-22-16-6-4-5-7-17(16)23-19)12-14(2)26(13)18-8-9-21-20(24-18)15(3)27/h4-10,13-15,27H,11-12H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyLGJJRSPXKQJVCL-QLFBSQMISA-N
MW364.45 g/mol
LogP2.58
Rot. Bonds3

About (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol

(1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 10937391) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID10937391
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H]1CN(c2cnc3ccccc3n2)C[C@H](C)N1c1ccnc([C@@H](C)O)n1
InChIInChI=1S/C20H24N6O/c1-13-11-25(19-10-22-16-6-4-5-7-17(16)23-19)12-14(2)26(13)18-8-9-21-20(24-18)15(3)27/h4-10,13-15,27H,11-12H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyLGJJRSPXKQJVCL-QLFBSQMISA-N
XLogP2.58
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol with MolForge

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Related Compounds

4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
(3R,4S)-3-fluoro-1-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 90183870
1-[4-(3-Methyl-4-quinoxalin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 9946410
1-{4-[2,6-Dimethyl-4-(4-phenyl-[1,3,5]triazin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 10271780
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-2-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 10339936
(3RS,4S)-4-{9-Isopropyl-6-[(pyridin-2-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 10407625
1-[4-(4-Quinoxalin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 11035075
N4-cyclohexyl-N6-(2-morpholinoethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 44592072
5-(4-Morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 53377727
(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine
CID 57442001
1-cyclohexyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 76282701
{1-Isopropyl-6-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-ylamino]-1H-imidazo[4,5-c]pyridin-2-yl}methanol
CID 90183305

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol (CID 10937391) is (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol is C[C@@H]1CN(c2cnc3ccccc3n2)C[C@H](C)N1c1ccnc([C@@H](C)O)n1.
What is the InChIKey of (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is LGJJRSPXKQJVCL-QLFBSQMISA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-11-25(19-10-22-16-6-4-5-7-17(16)23-19)12-14(2)26(13)18-8-9-21-20(24-18)15(3)27/h4-10,13-15,27H,11-12H2,1-3H3/t13-,14+,15-/m1/s1.
What are the key properties of (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 364.45 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 10937391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).