4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine

C14H13N3O — CID 154870701

IUPAC4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESc1ccc2c(c1)CN(c1ncnc3c1CCO3)C2
InChIInChI=1S/C14H13N3O/c1-2-4-11-8-17(7-10(11)3-1)13-12-5-6-18-14(12)16-9-15-13/h1-4,9H,5-8H2
InChIKeyVWZUPAZAJJJILL-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.93
Rot. Bonds1

About 4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine

4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine (PubChem CID 154870701) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine
PubChem CID154870701
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESc1ccc2c(c1)CN(c1ncnc3c1CCO3)C2
InChIInChI=1S/C14H13N3O/c1-2-4-11-8-17(7-10(11)3-1)13-12-5-6-18-14(12)16-9-15-13/h1-4,9H,5-8H2
InChIKeyVWZUPAZAJJJILL-UHFFFAOYSA-N
XLogP1.93
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine (CID 154870701) is 4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine is c1ccc2c(c1)CN(c1ncnc3c1CCO3)C2.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine?
The InChIKey is VWZUPAZAJJJILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-4-11-8-17(7-10(11)3-1)13-12-5-6-18-14(12)16-9-15-13/h1-4,9H,5-8H2.
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine?
4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine has a molecular weight of 239.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-5,6-dihydrofuro[2,3-d]pyrimidine is sourced from PubChem (CID 154870701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).