3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid

C17H22N6O2 — CID 56963401

IUPAC3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
SMILESCN1CCN(c2cc(NCCC(=O)O)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C17H22N6O2/c1-22-8-10-23(11-9-22)15-12-14(19-7-5-16(24)25)20-17(21-15)13-4-2-3-6-18-13/h2-4,6,12H,5,7-11H2,1H3,(H,24,25)(H,19,20,21)
InChIKeyYNXHDEXKHYHUNE-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.18
Rot. Bonds6

About 3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid

3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid (PubChem CID 56963401) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
PubChem CID56963401
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
SMILESCN1CCN(c2cc(NCCC(=O)O)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C17H22N6O2/c1-22-8-10-23(11-9-22)15-12-14(19-7-5-16(24)25)20-17(21-15)13-4-2-3-6-18-13/h2-4,6,12H,5,7-11H2,1H3,(H,24,25)(H,19,20,21)
InChIKeyYNXHDEXKHYHUNE-UHFFFAOYSA-N
XLogP1.18
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid with MolForge

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Related Compounds

3-[[6-(azepan-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56962975
3-[[6-(4-hydroxypiperidin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963398
3-[[6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-[4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]pyrimidin-4-yl]amino]propanoic acid
CID 56963133
3-[[6-(2-phenylethylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963655
3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963654
3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963309
4-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]but-2-yn-1-ol
CID 168745052
N-butyl-2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine;carbon dioxide
CID 160847697
4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
CID 155901264
3-[[2-pyridin-2-yl-6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]propanoic acid
CID 56962895
3-[[6-[[2-[3-(methylamino)propanoylamino]acetyl]amino]-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963223
3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propyl 3-(2-hydroxyethoxy)propanoate
CID 168745018

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid?
The IUPAC name of 3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid (CID 56963401) is 3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid?
The canonical SMILES for 3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid is CN1CCN(c2cc(NCCC(=O)O)nc(-c3ccccn3)n2)CC1.
What is the InChIKey of 3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid?
The InChIKey is YNXHDEXKHYHUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-22-8-10-23(11-9-22)15-12-14(19-7-5-16(24)25)20-17(21-15)13-4-2-3-6-18-13/h2-4,6,12H,5,7-11H2,1H3,(H,24,25)(H,19,20,21).
What are the key properties of 3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid?
3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid has a molecular weight of 342.40 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid is sourced from PubChem (CID 56963401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).