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

C11H13N5 — CID 114740201

IUPAC4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1nc(-c2nccn2C)nc2c1CNC2
InChIInChI=1S/C11H13N5/c1-7-8-5-12-6-9(8)15-10(14-7)11-13-3-4-16(11)2/h3-4,12H,5-6H2,1-2H3
InChIKeyAFPNKXDBEUDLHG-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.79
Rot. Bonds1

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

4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740201) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740201
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1nc(-c2nccn2C)nc2c1CNC2
InChIInChI=1S/C11H13N5/c1-7-8-5-12-6-9(8)15-10(14-7)11-13-3-4-16(11)2/h3-4,12H,5-6H2,1-2H3
InChIKeyAFPNKXDBEUDLHG-UHFFFAOYSA-N
XLogP0.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740201) is 4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is Cc1nc(-c2nccn2C)nc2c1CNC2.
What is the InChIKey of 4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is AFPNKXDBEUDLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-7-8-5-12-6-9(8)15-10(14-7)11-13-3-4-16(11)2/h3-4,12H,5-6H2,1-2H3.
What are the key properties of 4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 215.26 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).