1,4-dihydrofuro[2,3-d]pyrimidine

C6H6N2O — CID 55300516

IUPAC1,4-dihydrofuro[2,3-d]pyrimidine
SMILESC1=NCc2ccoc2N1
InChIInChI=1S/C6H6N2O/c1-2-9-6-5(1)3-7-4-8-6/h1-2,4H,3H2,(H,7,8)
InChIKeyIDYOBKFCPNCCOL-UHFFFAOYSA-N
MW122.13 g/mol
LogP1.23
Rot. Bonds

About 1,4-dihydrofuro[2,3-d]pyrimidine

1,4-dihydrofuro[2,3-d]pyrimidine (PubChem CID 55300516) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 1,4-dihydrofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name1,4-dihydrofuro[2,3-d]pyrimidine
PubChem CID55300516
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name1,4-dihydrofuro[2,3-d]pyrimidine
SMILESC1=NCc2ccoc2N1
InChIInChI=1S/C6H6N2O/c1-2-9-6-5(1)3-7-4-8-6/h1-2,4H,3H2,(H,7,8)
InChIKeyIDYOBKFCPNCCOL-UHFFFAOYSA-N
XLogP1.23
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydrofuro[2,3-d]pyrimidine?
The IUPAC name of 1,4-dihydrofuro[2,3-d]pyrimidine (CID 55300516) is 1,4-dihydrofuro[2,3-d]pyrimidine.
What is the SMILES notation for 1,4-dihydrofuro[2,3-d]pyrimidine?
The canonical SMILES for 1,4-dihydrofuro[2,3-d]pyrimidine is C1=NCc2ccoc2N1.
What is the InChIKey of 1,4-dihydrofuro[2,3-d]pyrimidine?
The InChIKey is IDYOBKFCPNCCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-2-9-6-5(1)3-7-4-8-6/h1-2,4H,3H2,(H,7,8).
What are the key properties of 1,4-dihydrofuro[2,3-d]pyrimidine?
1,4-dihydrofuro[2,3-d]pyrimidine has a molecular weight of 122.13 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydrofuro[2,3-d]pyrimidine is sourced from PubChem (CID 55300516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).