methyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride

C8H10ClN3O2 — CID 122163573

IUPACmethyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ncc2c(n1)CNC2.Cl
InChIInChI=1S/C8H9N3O2.ClH/c1-13-8(12)7-10-3-5-2-9-4-6(5)11-7;/h3,9H,2,4H2,1H3;1H
InChIKeyRERAMVCSJXTPJV-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.29
Rot. Bonds1

About methyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride

methyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride (PubChem CID 122163573) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is methyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride
PubChem CID122163573
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Namemethyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ncc2c(n1)CNC2.Cl
InChIInChI=1S/C8H9N3O2.ClH/c1-13-8(12)7-10-3-5-2-9-4-6(5)11-7;/h3,9H,2,4H2,1H3;1H
InChIKeyRERAMVCSJXTPJV-UHFFFAOYSA-N
XLogP0.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride (CID 122163573) is methyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride is COC(=O)c1ncc2c(n1)CNC2.Cl.
What is the InChIKey of methyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride?
The InChIKey is RERAMVCSJXTPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2.ClH/c1-13-8(12)7-10-3-5-2-9-4-6(5)11-7;/h3,9H,2,4H2,1H3;1H.
What are the key properties of methyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride?
methyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride has a molecular weight of 215.64 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 122163573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).