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

C18H20N6O — CID 11035075

IUPAC(1R)-1-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3cnc4ccccc4n3)CC2)n1
InChIInChI=1S/C18H20N6O/c1-13(25)18-19-7-6-16(22-18)23-8-10-24(11-9-23)17-12-20-14-4-2-3-5-15(14)21-17/h2-7,12-13,25H,8-11H2,1H3/t13-/m1/s1
InChIKeyXNPUHTXSHXGWLD-CYBMUJFWSA-N
MW336.40 g/mol
LogP1.80
Rot. Bonds3

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

(1R)-1-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol (PubChem CID 11035075) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is (1R)-1-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol
PubChem CID11035075
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name(1R)-1-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3cnc4ccccc4n3)CC2)n1
InChIInChI=1S/C18H20N6O/c1-13(25)18-19-7-6-16(22-18)23-8-10-24(11-9-23)17-12-20-14-4-2-3-5-15(14)21-17/h2-7,12-13,25H,8-11H2,1H3/t13-/m1/s1
InChIKeyXNPUHTXSHXGWLD-CYBMUJFWSA-N
XLogP1.80
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
2-{4-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]piperazin-1-Yl}ethanol
CID 2795593
4-N-(3-methylphenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328378
4-N-(3-methylphenyl)-6-N-[3-(morpholin-4-yl)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328379
2-(Morpholin-4-yl)quinoxaline
CID 2764829
1-[4-(3-Methyl-4-quinoxalin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 9946410
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-Isopropyl-6-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-ylamino]-1H-imidazo[4,5-c]pyridin-2-yl}methanol
CID 90183305
[6-[[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
CID 90183913
1-[[2-Amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol
CID 118334989

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol (CID 11035075) is (1R)-1-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol is C[C@@H](O)c1nccc(N2CCN(c3cnc4ccccc4n3)CC2)n1.
What is the InChIKey of (1R)-1-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol?
The InChIKey is XNPUHTXSHXGWLD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13(25)18-19-7-6-16(22-18)23-8-10-24(11-9-23)17-12-20-14-4-2-3-5-15(14)21-17/h2-7,12-13,25H,8-11H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol?
(1R)-1-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol has a molecular weight of 336.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol is sourced from PubChem (CID 11035075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).