2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid

C12H16N2O3 — CID 105497676

IUPAC2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid
SMILESCOc1ncnc(C2CCCC2)c1CC(=O)O
InChIInChI=1S/C12H16N2O3/c1-17-12-9(6-10(15)16)11(13-7-14-12)8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyJRSYRSPGCIUYJL-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.77
Rot. Bonds4

About 2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid

2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid (PubChem CID 105497676) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid
PubChem CID105497676
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid
SMILESCOc1ncnc(C2CCCC2)c1CC(=O)O
InChIInChI=1S/C12H16N2O3/c1-17-12-9(6-10(15)16)11(13-7-14-12)8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyJRSYRSPGCIUYJL-UHFFFAOYSA-N
XLogP1.77
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid (CID 105497676) is 2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid is COc1ncnc(C2CCCC2)c1CC(=O)O.
What is the InChIKey of 2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid?
The InChIKey is JRSYRSPGCIUYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-12-9(6-10(15)16)11(13-7-14-12)8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid?
2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid has a molecular weight of 236.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid is sourced from PubChem (CID 105497676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).