2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid

C8H8N2O3 — CID 82409242

IUPAC2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1ncc2c(n1)OCC2
InChIInChI=1S/C8H8N2O3/c11-7(12)3-6-9-4-5-1-2-13-8(5)10-6/h4H,1-3H2,(H,11,12)
InChIKeySSVJVMFFGQIUII-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.04
Rot. Bonds2

About 2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid

2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid (PubChem CID 82409242) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid
PubChem CID82409242
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1ncc2c(n1)OCC2
InChIInChI=1S/C8H8N2O3/c11-7(12)3-6-9-4-5-1-2-13-8(5)10-6/h4H,1-3H2,(H,11,12)
InChIKeySSVJVMFFGQIUII-UHFFFAOYSA-N
XLogP0.04
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid (CID 82409242) is 2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid is O=C(O)Cc1ncc2c(n1)OCC2.
What is the InChIKey of 2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid?
The InChIKey is SSVJVMFFGQIUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-7(12)3-6-9-4-5-1-2-13-8(5)10-6/h4H,1-3H2,(H,11,12).
What are the key properties of 2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid?
2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid has a molecular weight of 180.16 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 82409242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).