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

C10H15N3O — CID 114740686

IUPAC2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCOC(C)c1ncc2c(n1)CNC2
InChIInChI=1S/C10H15N3O/c1-3-14-7(2)10-12-5-8-4-11-6-9(8)13-10/h5,7,11H,3-4,6H2,1-2H3
InChIKeyQOFMGEQPMMNZDH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.18
Rot. Bonds3

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

2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740686) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740686
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCOC(C)c1ncc2c(n1)CNC2
InChIInChI=1S/C10H15N3O/c1-3-14-7(2)10-12-5-8-4-11-6-9(8)13-10/h5,7,11H,3-4,6H2,1-2H3
InChIKeyQOFMGEQPMMNZDH-UHFFFAOYSA-N
XLogP1.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740686) is 2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCOC(C)c1ncc2c(n1)CNC2.
What is the InChIKey of 2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is QOFMGEQPMMNZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-14-7(2)10-12-5-8-4-11-6-9(8)13-10/h5,7,11H,3-4,6H2,1-2H3.
What are the key properties of 2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 193.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).