[4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol

C21H26N6O — CID 138501488

IUPAC[4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol
SMILESCN1CCN(c2cc(CN(C)c3cccc4cccnc34)nc(CO)n2)CC1
InChIInChI=1S/C21H26N6O/c1-25-9-11-27(12-10-25)20-13-17(23-19(15-28)24-20)14-26(2)18-7-3-5-16-6-4-8-22-21(16)18/h3-8,13,28H,9-12,14-15H2,1-2H3
InChIKeyGAKGXWMRSDCWHE-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.91
Rot. Bonds5

About [4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol

[4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol (PubChem CID 138501488) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol
PubChem CID138501488
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name[4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol
SMILESCN1CCN(c2cc(CN(C)c3cccc4cccnc34)nc(CO)n2)CC1
InChIInChI=1S/C21H26N6O/c1-25-9-11-27(12-10-25)20-13-17(23-19(15-28)24-20)14-26(2)18-7-3-5-16-6-4-8-22-21(16)18/h3-8,13,28H,9-12,14-15H2,1-2H3
InChIKeyGAKGXWMRSDCWHE-UHFFFAOYSA-N
XLogP1.91
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol?
The IUPAC name of [4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol (CID 138501488) is [4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol is CN1CCN(c2cc(CN(C)c3cccc4cccnc34)nc(CO)n2)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol?
The InChIKey is GAKGXWMRSDCWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-25-9-11-27(12-10-25)20-13-17(23-19(15-28)24-20)14-26(2)18-7-3-5-16-6-4-8-22-21(16)18/h3-8,13,28H,9-12,14-15H2,1-2H3.
What are the key properties of [4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol?
[4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol has a molecular weight of 378.48 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol is sourced from PubChem (CID 138501488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).