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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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).