2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid

C9H12N2O3 — CID 82657594

IUPAC2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid
SMILESCCc1nc(OC)ncc1CC(=O)O
InChIInChI=1S/C9H12N2O3/c1-3-7-6(4-8(12)13)5-10-9(11-7)14-2/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyLIWHOGSTQRVNNH-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.67
Rot. Bonds4

About 2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid

2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid (PubChem CID 82657594) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid
PubChem CID82657594
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid
SMILESCCc1nc(OC)ncc1CC(=O)O
InChIInChI=1S/C9H12N2O3/c1-3-7-6(4-8(12)13)5-10-9(11-7)14-2/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyLIWHOGSTQRVNNH-UHFFFAOYSA-N
XLogP0.67
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid (CID 82657594) is 2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid is CCc1nc(OC)ncc1CC(=O)O.
What is the InChIKey of 2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid?
The InChIKey is LIWHOGSTQRVNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-7-6(4-8(12)13)5-10-9(11-7)14-2/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid?
2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methoxypyrimidin-5-yl)acetic acid is sourced from PubChem (CID 82657594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).