2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid

C10H10N2O4 — CID 46257774

IUPAC2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid
SMILESCc1oc2ncnc(OCC(=O)O)c2c1C
InChIInChI=1S/C10H10N2O4/c1-5-6(2)16-10-8(5)9(11-4-12-10)15-3-7(13)14/h4H,3H2,1-2H3,(H,13,14)
InChIKeyDDHSJDVPPCBTFO-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.30
Rot. Bonds3

About 2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid

2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid (PubChem CID 46257774) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid
PubChem CID46257774
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid
SMILESCc1oc2ncnc(OCC(=O)O)c2c1C
InChIInChI=1S/C10H10N2O4/c1-5-6(2)16-10-8(5)9(11-4-12-10)15-3-7(13)14/h4H,3H2,1-2H3,(H,13,14)
InChIKeyDDHSJDVPPCBTFO-UHFFFAOYSA-N
XLogP1.30
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid (CID 46257774) is 2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid is Cc1oc2ncnc(OCC(=O)O)c2c1C.
What is the InChIKey of 2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid?
The InChIKey is DDHSJDVPPCBTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-5-6(2)16-10-8(5)9(11-4-12-10)15-3-7(13)14/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid?
2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid has a molecular weight of 222.20 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid is sourced from PubChem (CID 46257774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).