furo[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine

C12H9N5O — CID 66783956

IUPACfuro[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine
SMILESc1ncc2[nH]ccc2n1.c1ncc2occc2n1
InChIInChI=1S/C6H5N3.C6H4N2O/c1-2-8-6-3-7-4-9-5(1)6;1-2-9-6-3-7-4-8-5(1)6/h1-4,8H;1-4H
InChIKeyIVFLNHLVLLCFNZ-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.18
Rot. Bonds

About furo[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine

furo[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 66783956) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is furo[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Namefuro[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine
PubChem CID66783956
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC Namefuro[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine
SMILESc1ncc2[nH]ccc2n1.c1ncc2occc2n1
InChIInChI=1S/C6H5N3.C6H4N2O/c1-2-8-6-3-7-4-9-5(1)6;1-2-9-6-3-7-4-8-5(1)6/h1-4,8H;1-4H
InChIKeyIVFLNHLVLLCFNZ-UHFFFAOYSA-N
XLogP2.18
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furo[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of furo[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine (CID 66783956) is furo[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for furo[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for furo[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine is c1ncc2[nH]ccc2n1.c1ncc2occc2n1.
What is the InChIKey of furo[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is IVFLNHLVLLCFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.C6H4N2O/c1-2-8-6-3-7-4-9-5(1)6;1-2-9-6-3-7-4-8-5(1)6/h1-4,8H;1-4H.
What are the key properties of furo[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine?
furo[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 239.24 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furo[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 66783956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).