2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid

C11H15N3O2 — CID 83862300

IUPAC2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid
SMILESCC(C)c1nc2c(c(CC(=O)O)n1)CNC2
InChIInChI=1S/C11H15N3O2/c1-6(2)11-13-8(3-10(15)16)7-4-12-5-9(7)14-11/h6,12H,3-5H2,1-2H3,(H,15,16)
InChIKeyCIOJDMKNAAYAAD-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.83
Rot. Bonds3

About 2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid

2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid (PubChem CID 83862300) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid
PubChem CID83862300
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid
SMILESCC(C)c1nc2c(c(CC(=O)O)n1)CNC2
InChIInChI=1S/C11H15N3O2/c1-6(2)11-13-8(3-10(15)16)7-4-12-5-9(7)14-11/h6,12H,3-5H2,1-2H3,(H,15,16)
InChIKeyCIOJDMKNAAYAAD-UHFFFAOYSA-N
XLogP0.83
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid (CID 83862300) is 2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid is CC(C)c1nc2c(c(CC(=O)O)n1)CNC2.
What is the InChIKey of 2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid?
The InChIKey is CIOJDMKNAAYAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-6(2)11-13-8(3-10(15)16)7-4-12-5-9(7)14-11/h6,12H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid?
2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83862300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).