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

C6H6N2O — CID 45080424

IUPAC1,2-dihydrofuro[2,3-d]pyrimidine
SMILESC1=NCNc2occc21
InChIInChI=1S/C6H6N2O/c1-2-9-6-5(1)3-7-4-8-6/h1-3,8H,4H2
InChIKeyKHWPAXLJRAGTSP-UHFFFAOYSA-N
MW122.13 g/mol
LogP1.08
Rot. Bonds

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

1,2-dihydrofuro[2,3-d]pyrimidine (PubChem CID 45080424) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 1,2-dihydrofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name1,2-dihydrofuro[2,3-d]pyrimidine
PubChem CID45080424
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name1,2-dihydrofuro[2,3-d]pyrimidine
SMILESC1=NCNc2occc21
InChIInChI=1S/C6H6N2O/c1-2-9-6-5(1)3-7-4-8-6/h1-3,8H,4H2
InChIKeyKHWPAXLJRAGTSP-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrofuro[2,3-d]pyrimidine?
The IUPAC name of 1,2-dihydrofuro[2,3-d]pyrimidine (CID 45080424) is 1,2-dihydrofuro[2,3-d]pyrimidine.
What is the SMILES notation for 1,2-dihydrofuro[2,3-d]pyrimidine?
The canonical SMILES for 1,2-dihydrofuro[2,3-d]pyrimidine is C1=NCNc2occc21.
What is the InChIKey of 1,2-dihydrofuro[2,3-d]pyrimidine?
The InChIKey is KHWPAXLJRAGTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-2-9-6-5(1)3-7-4-8-6/h1-3,8H,4H2.
What are the key properties of 1,2-dihydrofuro[2,3-d]pyrimidine?
1,2-dihydrofuro[2,3-d]pyrimidine has a molecular weight of 122.13 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrofuro[2,3-d]pyrimidine is sourced from PubChem (CID 45080424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).