2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid

C10H13ClN2O3 — CID 94077104

IUPAC2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid
SMILESCc1nc(C(C)C)nc(OCC(=O)O)c1Cl
InChIInChI=1S/C10H13ClN2O3/c1-5(2)9-12-6(3)8(11)10(13-9)16-4-7(14)15/h5H,4H2,1-3H3,(H,14,15)
InChIKeyAOVQECDYJUXEKD-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.03
Rot. Bonds4

About 2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid

2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid (PubChem CID 94077104) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid
PubChem CID94077104
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid
SMILESCc1nc(C(C)C)nc(OCC(=O)O)c1Cl
InChIInChI=1S/C10H13ClN2O3/c1-5(2)9-12-6(3)8(11)10(13-9)16-4-7(14)15/h5H,4H2,1-3H3,(H,14,15)
InChIKeyAOVQECDYJUXEKD-UHFFFAOYSA-N
XLogP2.03
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid (CID 94077104) is 2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid is Cc1nc(C(C)C)nc(OCC(=O)O)c1Cl.
What is the InChIKey of 2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid?
The InChIKey is AOVQECDYJUXEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-5(2)9-12-6(3)8(11)10(13-9)16-4-7(14)15/h5H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid?
2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid has a molecular weight of 244.68 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid is sourced from PubChem (CID 94077104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).