2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid

C13H19N3O4 — CID 102658023

IUPAC2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid
SMILESCC(C)Oc1cc(N2CC(C)(OCC(=O)O)C2)ncn1
InChIInChI=1S/C13H19N3O4/c1-9(2)20-11-4-10(14-8-15-11)16-6-13(3,7-16)19-5-12(17)18/h4,8-9H,5-7H2,1-3H3,(H,17,18)
InChIKeySUCCXICPIUONEG-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.94
Rot. Bonds6

About 2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid (PubChem CID 102658023) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid
PubChem CID102658023
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid
SMILESCC(C)Oc1cc(N2CC(C)(OCC(=O)O)C2)ncn1
InChIInChI=1S/C13H19N3O4/c1-9(2)20-11-4-10(14-8-15-11)16-6-13(3,7-16)19-5-12(17)18/h4,8-9H,5-7H2,1-3H3,(H,17,18)
InChIKeySUCCXICPIUONEG-UHFFFAOYSA-N
XLogP0.94
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyacetic acid
CID 102658024
2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid
CID 102658053
4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 66332415
2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658060
2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid
CID 83879728
2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid
CID 102658118
N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 66333648
1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-amine
CID 66331612
2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658055
tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate
CID 66748395
2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid
CID 104572083
N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 66333649

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid (CID 102658023) is 2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid is CC(C)Oc1cc(N2CC(C)(OCC(=O)O)C2)ncn1.
What is the InChIKey of 2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid?
The InChIKey is SUCCXICPIUONEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9(2)20-11-4-10(14-8-15-11)16-6-13(3,7-16)19-5-12(17)18/h4,8-9H,5-7H2,1-3H3,(H,17,18).
What are the key properties of 2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid has a molecular weight of 281.31 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).