[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol

C19H22N6O — CID 130366513

IUPAC[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol
SMILESCC(c1ccc2nccnc2c1)N1CCN(c2ncc(CO)cn2)CC1
InChIInChI=1S/C19H22N6O/c1-14(16-2-3-17-18(10-16)21-5-4-20-17)24-6-8-25(9-7-24)19-22-11-15(13-26)12-23-19/h2-5,10-12,14,26H,6-9,13H2,1H3
InChIKeyYFUOWZFAGKTEGX-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.80
Rot. Bonds4

About [2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol

[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol (PubChem CID 130366513) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol
PubChem CID130366513
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol
SMILESCC(c1ccc2nccnc2c1)N1CCN(c2ncc(CO)cn2)CC1
InChIInChI=1S/C19H22N6O/c1-14(16-2-3-17-18(10-16)21-5-4-20-17)24-6-8-25(9-7-24)19-22-11-15(13-26)12-23-19/h2-5,10-12,14,26H,6-9,13H2,1H3
InChIKeyYFUOWZFAGKTEGX-UHFFFAOYSA-N
XLogP1.80
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol?
The IUPAC name of [2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol (CID 130366513) is [2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol?
The canonical SMILES for [2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol is CC(c1ccc2nccnc2c1)N1CCN(c2ncc(CO)cn2)CC1.
What is the InChIKey of [2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol?
The InChIKey is YFUOWZFAGKTEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14(16-2-3-17-18(10-16)21-5-4-20-17)24-6-8-25(9-7-24)19-22-11-15(13-26)12-23-19/h2-5,10-12,14,26H,6-9,13H2,1H3.
What are the key properties of [2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol?
[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol has a molecular weight of 350.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]methanol is sourced from PubChem (CID 130366513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).