2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C14H13N3O2 — CID 114740565

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESc1ccc2c(c1)OCC(c1ncc3c(n1)CNC3)O2
InChIInChI=1S/C14H13N3O2/c1-2-4-12-11(3-1)18-8-13(19-12)14-16-6-9-5-15-7-10(9)17-14/h1-4,6,13,15H,5,7-8H2
InChIKeyDQLUQUNVVUODEV-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.59
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740565) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740565
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESc1ccc2c(c1)OCC(c1ncc3c(n1)CNC3)O2
InChIInChI=1S/C14H13N3O2/c1-2-4-12-11(3-1)18-8-13(19-12)14-16-6-9-5-15-7-10(9)17-14/h1-4,6,13,15H,5,7-8H2
InChIKeyDQLUQUNVVUODEV-UHFFFAOYSA-N
XLogP1.59
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine with MolForge

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Related Compounds

2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740598
1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 65351695
5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine
CID 66303278
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol
CID 65351888
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471931
2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine
CID 65352133
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-1H-1,2,4-triazole
CID 61277728
4-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,5-triazin-2-amine
CID 65356241
5-(1-chloroethyl)-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazole
CID 65353525
8-(2,3-dihydro-1,4-benzodioxin-3-yl)-7H-purine
CID 114402597
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine
CID 65350725
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 65351595

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740565) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is c1ccc2c(c1)OCC(c1ncc3c(n1)CNC3)O2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is DQLUQUNVVUODEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-2-4-12-11(3-1)18-8-13(19-12)14-16-6-9-5-15-7-10(9)17-14/h1-4,6,13,15H,5,7-8H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 255.28 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).