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

C14H21N3O3 — CID 102658053

IUPAC2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid
SMILESCc1cc(N2CC(C)(OCC(=O)O)C2)nc(C(C)C)n1
InChIInChI=1S/C14H21N3O3/c1-9(2)13-15-10(3)5-11(16-13)17-7-14(4,8-17)20-6-12(18)19/h5,9H,6-8H2,1-4H3,(H,18,19)
InChIKeyAMKDOBRTFQPSKO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.59
Rot. Bonds5

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

2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid (PubChem CID 102658053) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid
PubChem CID102658053
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid
SMILESCc1cc(N2CC(C)(OCC(=O)O)C2)nc(C(C)C)n1
InChIInChI=1S/C14H21N3O3/c1-9(2)13-15-10(3)5-11(16-13)17-7-14(4,8-17)20-6-12(18)19/h5,9H,6-8H2,1-4H3,(H,18,19)
InChIKeyAMKDOBRTFQPSKO-UHFFFAOYSA-N
XLogP1.59
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147210
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol
CID 80702341
(2,2-dichloro-1-methylcyclopropyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 17404159
2-[1-(4-bromo-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658010
methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate
CID 84585847
3-hydroxy-3-methyl-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 154839417
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422241
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 112731117
2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657927
2-(3,4-dimethylphenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 26953586
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 119837055
ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 60651536

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid (CID 102658053) is 2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid is Cc1cc(N2CC(C)(OCC(=O)O)C2)nc(C(C)C)n1.
What is the InChIKey of 2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid?
The InChIKey is AMKDOBRTFQPSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)13-15-10(3)5-11(16-13)17-7-14(4,8-17)20-6-12(18)19/h5,9H,6-8H2,1-4H3,(H,18,19).
What are the key properties of 2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).