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

C12H20N4 — CID 177061372

IUPAC4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane
SMILESCC.Cc1nc2c(c(N3CCC3)n1)CNC2
InChIInChI=1S/C10H14N4.C2H6/c1-7-12-9-6-11-5-8(9)10(13-7)14-3-2-4-14;1-2/h11H,2-6H2,1H3;1-2H3
InChIKeyVGKVAUNCQYRYLT-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.62
Rot. Bonds1

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

4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane (PubChem CID 177061372) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane.

Molecular Properties

Compound Name4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane
PubChem CID177061372
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane
SMILESCC.Cc1nc2c(c(N3CCC3)n1)CNC2
InChIInChI=1S/C10H14N4.C2H6/c1-7-12-9-6-11-5-8(9)10(13-7)14-3-2-4-14;1-2/h11H,2-6H2,1H3;1-2H3
InChIKeyVGKVAUNCQYRYLT-UHFFFAOYSA-N
XLogP1.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane?
The IUPAC name of 4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane (CID 177061372) is 4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane.
What is the SMILES notation for 4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane?
The canonical SMILES for 4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane is CC.Cc1nc2c(c(N3CCC3)n1)CNC2.
What is the InChIKey of 4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane?
The InChIKey is VGKVAUNCQYRYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4.C2H6/c1-7-12-9-6-11-5-8(9)10(13-7)14-3-2-4-14;1-2/h11H,2-6H2,1H3;1-2H3.
What are the key properties of 4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane?
4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane has a molecular weight of 220.32 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane is sourced from PubChem (CID 177061372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).