2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one

C8H10N4O2 — CID 82401396

IUPAC2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
SMILESCOc1nc(CN)nc2c1CNC2=O
InChIInChI=1S/C8H10N4O2/c1-14-8-4-3-10-7(13)6(4)11-5(2-9)12-8/h2-3,9H2,1H3,(H,10,13)
InChIKeyBPJGIRGRTAKFOJ-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.81
Rot. Bonds2

About 2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one

2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 82401396) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
PubChem CID82401396
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
SMILESCOc1nc(CN)nc2c1CNC2=O
InChIInChI=1S/C8H10N4O2/c1-14-8-4-3-10-7(13)6(4)11-5(2-9)12-8/h2-3,9H2,1H3,(H,10,13)
InChIKeyBPJGIRGRTAKFOJ-UHFFFAOYSA-N
XLogP-0.81
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one (CID 82401396) is 2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one is COc1nc(CN)nc2c1CNC2=O.
What is the InChIKey of 2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is BPJGIRGRTAKFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-14-8-4-3-10-7(13)6(4)11-5(2-9)12-8/h2-3,9H2,1H3,(H,10,13).
What are the key properties of 2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 194.19 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 82401396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).