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

C14H20N4O — CID 134410879

IUPAC4-(azetidin-1-yl)-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESC1CN(c2nc(C3CCOCC3)nc3c2CNC3)C1
InChIInChI=1S/C14H20N4O/c1-4-18(5-1)14-11-8-15-9-12(11)16-13(17-14)10-2-6-19-7-3-10/h10,15H,1-9H2
InChIKeyZOVMTADIFPPQCO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.18
Rot. Bonds2

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

4-(azetidin-1-yl)-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 134410879) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID134410879
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-(azetidin-1-yl)-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESC1CN(c2nc(C3CCOCC3)nc3c2CNC3)C1
InChIInChI=1S/C14H20N4O/c1-4-18(5-1)14-11-8-15-9-12(11)16-13(17-14)10-2-6-19-7-3-10/h10,15H,1-9H2
InChIKeyZOVMTADIFPPQCO-UHFFFAOYSA-N
XLogP1.18
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-(azetidin-1-yl)-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 134410879) is 4-(azetidin-1-yl)-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(azetidin-1-yl)-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(azetidin-1-yl)-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is C1CN(c2nc(C3CCOCC3)nc3c2CNC3)C1.
What is the InChIKey of 4-(azetidin-1-yl)-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is ZOVMTADIFPPQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-18(5-1)14-11-8-15-9-12(11)16-13(17-14)10-2-6-19-7-3-10/h10,15H,1-9H2.
What are the key properties of 4-(azetidin-1-yl)-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-(azetidin-1-yl)-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 260.34 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 134410879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).