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

C11H16N4O — CID 83863064

IUPAC4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine
SMILESCc1nc2c(c(N3CCOCC3)n1)CNC2
InChIInChI=1S/C11H16N4O/c1-8-13-10-7-12-6-9(10)11(14-8)15-2-4-16-5-3-15/h12H,2-7H2,1H3
InChIKeyNWDDXPYEUHCGMZ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.22
Rot. Bonds1

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

4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine (PubChem CID 83863064) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine
PubChem CID83863064
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine
SMILESCc1nc2c(c(N3CCOCC3)n1)CNC2
InChIInChI=1S/C11H16N4O/c1-8-13-10-7-12-6-9(10)11(14-8)15-2-4-16-5-3-15/h12H,2-7H2,1H3
InChIKeyNWDDXPYEUHCGMZ-UHFFFAOYSA-N
XLogP0.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine (CID 83863064) is 4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine is Cc1nc2c(c(N3CCOCC3)n1)CNC2.
What is the InChIKey of 4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is NWDDXPYEUHCGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-13-10-7-12-6-9(10)11(14-8)15-2-4-16-5-3-15/h12H,2-7H2,1H3.
What are the key properties of 4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine?
4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 220.28 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 83863064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).