6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline

C16H15N5 — CID 114740932

IUPAC6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline
SMILESCCc1nc(-c2ccc3nccnc3c2)nc2c1CNC2
InChIInChI=1S/C16H15N5/c1-2-12-11-8-17-9-15(11)21-16(20-12)10-3-4-13-14(7-10)19-6-5-18-13/h3-7,17H,2,8-9H2,1H3
InChIKeyNPAYIILGFHDRLY-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.25
Rot. Bonds2

About 6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline

6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline (PubChem CID 114740932) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline.

Molecular Properties

Compound Name6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline
PubChem CID114740932
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline
SMILESCCc1nc(-c2ccc3nccnc3c2)nc2c1CNC2
InChIInChI=1S/C16H15N5/c1-2-12-11-8-17-9-15(11)21-16(20-12)10-3-4-13-14(7-10)19-6-5-18-13/h3-7,17H,2,8-9H2,1H3
InChIKeyNPAYIILGFHDRLY-UHFFFAOYSA-N
XLogP2.25
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline?
The IUPAC name of 6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline (CID 114740932) is 6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline.
What is the SMILES notation for 6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline?
The canonical SMILES for 6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline is CCc1nc(-c2ccc3nccnc3c2)nc2c1CNC2.
What is the InChIKey of 6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline?
The InChIKey is NPAYIILGFHDRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-2-12-11-8-17-9-15(11)21-16(20-12)10-3-4-13-14(7-10)19-6-5-18-13/h3-7,17H,2,8-9H2,1H3.
What are the key properties of 6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline?
6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline has a molecular weight of 277.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline is sourced from PubChem (CID 114740932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).