4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C8H11N3O — CID 83845803

IUPAC4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1ncnc2c1CNC2C
InChIInChI=1S/C8H11N3O/c1-5-7-6(3-9-5)8(12-2)11-4-10-7/h4-5,9H,3H2,1-2H3
InChIKeyKHAPDIIWCRCNJA-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.65
Rot. Bonds1

About 4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 83845803) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID83845803
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1ncnc2c1CNC2C
InChIInChI=1S/C8H11N3O/c1-5-7-6(3-9-5)8(12-2)11-4-10-7/h4-5,9H,3H2,1-2H3
InChIKeyKHAPDIIWCRCNJA-UHFFFAOYSA-N
XLogP0.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 83845803) is 4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COc1ncnc2c1CNC2C.
What is the InChIKey of 4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is KHAPDIIWCRCNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-7-6(3-9-5)8(12-2)11-4-10-7/h4-5,9H,3H2,1-2H3.
What are the key properties of 4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 165.20 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 83845803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).