2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol

C22H28N6O — CID 130366452

IUPAC2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
SMILESCC(C)C(O)c1cnc(N2CCN(C(C)c3ccc4nccnc4c3)CC2)nc1
InChIInChI=1S/C22H28N6O/c1-15(2)21(29)18-13-25-22(26-14-18)28-10-8-27(9-11-28)16(3)17-4-5-19-20(12-17)24-7-6-23-19/h4-7,12-16,21,29H,8-11H2,1-3H3
InChIKeyOLCUPVTZLAENSX-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.99
Rot. Bonds5

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

2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol (PubChem CID 130366452) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
PubChem CID130366452
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
SMILESCC(C)C(O)c1cnc(N2CCN(C(C)c3ccc4nccnc4c3)CC2)nc1
InChIInChI=1S/C22H28N6O/c1-15(2)21(29)18-13-25-22(26-14-18)28-10-8-27(9-11-28)16(3)17-4-5-19-20(12-17)24-7-6-23-19/h4-7,12-16,21,29H,8-11H2,1-3H3
InChIKeyOLCUPVTZLAENSX-UHFFFAOYSA-N
XLogP2.99
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol with MolForge

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Related Compounds

7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline
CID 118911329
6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline
CID 130377123
3-[2-[4-(1-quinolin-7-ylethyl)piperazin-1-yl]pyrimidin-5-yl]butan-2-imine
CID 175959537
1-[2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118911244
3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one
CID 130377034
2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 167102077
[2-[4-[1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-methyl-methylidene-oxo-λ6-sulfane
CID 161239383
[2-[4-[1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane
CID 146414682
ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine
CID 154685761
N-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide
CID 118911409
2-methyl-5-[(1R)-1-[4-(5-methylsulfanylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 156777332
6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine
CID 164762728

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol (CID 130366452) is 2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol is CC(C)C(O)c1cnc(N2CCN(C(C)c3ccc4nccnc4c3)CC2)nc1.
What is the InChIKey of 2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol?
The InChIKey is OLCUPVTZLAENSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15(2)21(29)18-13-25-22(26-14-18)28-10-8-27(9-11-28)16(3)17-4-5-19-20(12-17)24-7-6-23-19/h4-7,12-16,21,29H,8-11H2,1-3H3.
What are the key properties of 2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol?
2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol has a molecular weight of 392.51 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol is sourced from PubChem (CID 130366452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).