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

C6H7N3 — CID 10954423

IUPAC6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESc1ncc2c(n1)CNC2
InChIInChI=1S/C6H7N3/c1-5-2-8-4-9-6(5)3-7-1/h2,4,7H,1,3H2
InChIKeyNBXIOQTYZWAAEB-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.08
Rot. Bonds

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

6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 10954423) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID10954423
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESc1ncc2c(n1)CNC2
InChIInChI=1S/C6H7N3/c1-5-2-8-4-9-6(5)3-7-1/h2,4,7H,1,3H2
InChIKeyNBXIOQTYZWAAEB-UHFFFAOYSA-N
XLogP0.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 10954423) is 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is c1ncc2c(n1)CNC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is NBXIOQTYZWAAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-5-2-8-4-9-6(5)3-7-1/h2,4,7H,1,3H2.
What are the key properties of 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 121.14 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 10954423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).