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

C7H9N3 — CID 10889102

IUPAC2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1ncc2c(n1)CNC2
InChIInChI=1S/C7H9N3/c1-5-9-3-6-2-8-4-7(6)10-5/h3,8H,2,4H2,1H3
InChIKeyRAAFDHOWTMRUEA-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.39
Rot. Bonds

About 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 10889102) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID10889102
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1ncc2c(n1)CNC2
InChIInChI=1S/C7H9N3/c1-5-9-3-6-2-8-4-7(6)10-5/h3,8H,2,4H2,1H3
InChIKeyRAAFDHOWTMRUEA-UHFFFAOYSA-N
XLogP0.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 10889102) is 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is Cc1ncc2c(n1)CNC2.
What is the InChIKey of 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is RAAFDHOWTMRUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-5-9-3-6-2-8-4-7(6)10-5/h3,8H,2,4H2,1H3.
What are the key properties of 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 135.17 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 10889102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).