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

C12H17N3 — CID 114740885

IUPAC4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(C2(C)CC2)nc2c1CNC2
InChIInChI=1S/C12H17N3/c1-3-9-8-6-13-7-10(8)15-11(14-9)12(2)4-5-12/h13H,3-7H2,1-2H3
InChIKeyIJZBVRLMGQRGPZ-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.69
Rot. Bonds2

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

4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740885) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740885
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(C2(C)CC2)nc2c1CNC2
InChIInChI=1S/C12H17N3/c1-3-9-8-6-13-7-10(8)15-11(14-9)12(2)4-5-12/h13H,3-7H2,1-2H3
InChIKeyIJZBVRLMGQRGPZ-UHFFFAOYSA-N
XLogP1.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740885) is 4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCc1nc(C2(C)CC2)nc2c1CNC2.
What is the InChIKey of 4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is IJZBVRLMGQRGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-9-8-6-13-7-10(8)15-11(14-9)12(2)4-5-12/h13H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 203.29 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1-methylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).