3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

C18H16N2O5 — CID 31077133

IUPAC3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1c2oc3ccccc3c2ncn1C[C@@H](O)COCc1ccco1
InChIInChI=1S/C18H16N2O5/c21-12(9-23-10-13-4-3-7-24-13)8-20-11-19-16-14-5-1-2-6-15(14)25-17(16)18(20)22/h1-7,11-12,21H,8-10H2/t12-/m1/s1
InChIKeyRXIVOSAXMQOBHP-GFCCVEGCSA-N
MW340.34 g/mol
LogP2.31
Rot. Bonds6

About 3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 31077133) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID31077133
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1c2oc3ccccc3c2ncn1C[C@@H](O)COCc1ccco1
InChIInChI=1S/C18H16N2O5/c21-12(9-23-10-13-4-3-7-24-13)8-20-11-19-16-14-5-1-2-6-15(14)25-17(16)18(20)22/h1-7,11-12,21H,8-10H2/t12-/m1/s1
InChIKeyRXIVOSAXMQOBHP-GFCCVEGCSA-N
XLogP2.31
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 31077311
3-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 31077147
3-[3-(4-acetylphenoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 51331014
7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one
CID 51981456
1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 23992237
7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CID 31297735
3-[2-hydroxy-2-(4-methylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 111476407
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 32993595
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 25384233
N-[2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]ethyl]furan-2-carboxamide
CID 33377017
1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 109411210
(4-propoxyphenyl) 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
CID 55382859

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 31077133) is 3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1c2oc3ccccc3c2ncn1C[C@@H](O)COCc1ccco1.
What is the InChIKey of 3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is RXIVOSAXMQOBHP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16N2O5/c21-12(9-23-10-13-4-3-7-24-13)8-20-11-19-16-14-5-1-2-6-15(14)25-17(16)18(20)22/h1-7,11-12,21H,8-10H2/t12-/m1/s1.
What are the key properties of 3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 340.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 31077133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).