(1R)-1-[4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

C19H22N6O — CID 11057232

IUPAC(1R)-1-[4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1nc2ccccc2nc1N1CCN(c2ccnc([C@@H](C)O)n2)CC1
InChIInChI=1S/C19H22N6O/c1-13-19(22-16-6-4-3-5-15(16)21-13)25-11-9-24(10-12-25)17-7-8-20-18(23-17)14(2)26/h3-8,14,26H,9-12H2,1-2H3/t14-/m1/s1
InChIKeySSVBSNIVVKLJEF-CQSZACIVSA-N
MW350.43 g/mol
LogP2.11
Rot. Bonds3

About (1R)-1-[4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

(1R)-1-[4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 11057232) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (1R)-1-[4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID11057232
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name(1R)-1-[4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1nc2ccccc2nc1N1CCN(c2ccnc([C@@H](C)O)n2)CC1
InChIInChI=1S/C19H22N6O/c1-13-19(22-16-6-4-3-5-15(16)21-13)25-11-9-24(10-12-25)17-7-8-20-18(23-17)14(2)26/h3-8,14,26H,9-12H2,1-2H3/t14-/m1/s1
InChIKeySSVBSNIVVKLJEF-CQSZACIVSA-N
XLogP2.11
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 ≤ 52.11
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
1-[4-(4-Quinoxalin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 11035075
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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 11057232) is (1R)-1-[4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is Cc1nc2ccccc2nc1N1CCN(c2ccnc([C@@H](C)O)n2)CC1.
What is the InChIKey of (1R)-1-[4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is SSVBSNIVVKLJEF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-19(22-16-6-4-3-5-15(16)21-13)25-11-9-24(10-12-25)17-7-8-20-18(23-17)14(2)26/h3-8,14,26H,9-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-[4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 350.43 g/mol, XLogP of 2.11, 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-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 11057232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).