2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione

C9H10N4O2 — CID 82396060

IUPAC2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione
SMILESCN1C(=O)c2cnc(CCN)nc2C1=O
InChIInChI=1S/C9H10N4O2/c1-13-8(14)5-4-11-6(2-3-10)12-7(5)9(13)15/h4H,2-3,10H2,1H3
InChIKeyJPGUXGJXZSLZPT-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.80
Rot. Bonds2

About 2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione

2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione (PubChem CID 82396060) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione
PubChem CID82396060
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione
SMILESCN1C(=O)c2cnc(CCN)nc2C1=O
InChIInChI=1S/C9H10N4O2/c1-13-8(14)5-4-11-6(2-3-10)12-7(5)9(13)15/h4H,2-3,10H2,1H3
InChIKeyJPGUXGJXZSLZPT-UHFFFAOYSA-N
XLogP-0.80
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine
CID 83816945
2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine
CID 82409935
2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 82410094
2-(2-aminoethyl)-5-bromopyrimidine-4-carboxylic acid
CID 83825215
2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine
CID 155225755
3,6-dimethylpyrrolo[3,4-b]pyridine-5,7-dione
CID 19352217
2-(5-tert-butylpyrimidin-2-yl)ethanamine
CID 55263070
2-(5-ethylpyrimidin-2-yl)ethanamine;hydrochloride
CID 105442920
2-(6-fluoroquinazolin-2-yl)ethanamine
CID 105444824
6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione
CID 82409796
S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine
CID 54210546
2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine
CID 84634645

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione?
The IUPAC name of 2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione (CID 82396060) is 2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione.
What is the SMILES notation for 2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione?
The canonical SMILES for 2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione is CN1C(=O)c2cnc(CCN)nc2C1=O.
What is the InChIKey of 2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione?
The InChIKey is JPGUXGJXZSLZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-13-8(14)5-4-11-6(2-3-10)12-7(5)9(13)15/h4H,2-3,10H2,1H3.
What are the key properties of 2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione?
2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione has a molecular weight of 206.20 g/mol, XLogP of -0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione is sourced from PubChem (CID 82396060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).