2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid

C9H12N2O4 — CID 83852268

IUPAC2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid
SMILESCCn1c(CC(=O)O)cc(OC)nc1=O
InChIInChI=1S/C9H12N2O4/c1-3-11-6(5-8(12)13)4-7(15-2)10-9(11)14/h4H,3,5H2,1-2H3,(H,12,13)
InChIKeyHONLJUJGMVWJRR-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.10
Rot. Bonds4

About 2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid

2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid (PubChem CID 83852268) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid
PubChem CID83852268
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid
SMILESCCn1c(CC(=O)O)cc(OC)nc1=O
InChIInChI=1S/C9H12N2O4/c1-3-11-6(5-8(12)13)4-7(15-2)10-9(11)14/h4H,3,5H2,1-2H3,(H,12,13)
InChIKeyHONLJUJGMVWJRR-UHFFFAOYSA-N
XLogP-0.10
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid (CID 83852268) is 2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid is CCn1c(CC(=O)O)cc(OC)nc1=O.
What is the InChIKey of 2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid?
The InChIKey is HONLJUJGMVWJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-11-6(5-8(12)13)4-7(15-2)10-9(11)14/h4H,3,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid?
2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid has a molecular weight of 212.20 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).