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

C9H12N4O2 — CID 82395421

IUPAC2-(2-aminoethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
SMILESCOc1nc(CCN)nc2c1CNC2=O
InChIInChI=1S/C9H12N4O2/c1-15-9-5-4-11-8(14)7(5)12-6(13-9)2-3-10/h2-4,10H2,1H3,(H,11,14)
InChIKeyBPZCHKIEMIXVTP-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.77
Rot. Bonds3

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

2-(2-aminoethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 82395421) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
PubChem CID82395421
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-(2-aminoethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
SMILESCOc1nc(CCN)nc2c1CNC2=O
InChIInChI=1S/C9H12N4O2/c1-15-9-5-4-11-8(14)7(5)12-6(13-9)2-3-10/h2-4,10H2,1H3,(H,11,14)
InChIKeyBPZCHKIEMIXVTP-UHFFFAOYSA-N
XLogP-0.77
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 2-(2-aminoethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one (CID 82395421) is 2-(2-aminoethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 2-(2-aminoethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one is COc1nc(CCN)nc2c1CNC2=O.
What is the InChIKey of 2-(2-aminoethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is BPZCHKIEMIXVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-15-9-5-4-11-8(14)7(5)12-6(13-9)2-3-10/h2-4,10H2,1H3,(H,11,14).
What are the key properties of 2-(2-aminoethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
2-(2-aminoethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 208.22 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-methoxy-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 82395421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).