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

C6H6Cl3N3 — CID 44630725

IUPAC2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
SMILESCl.Clc1nc(Cl)c2c(n1)CNC2
InChIInChI=1S/C6H5Cl2N3.ClH/c7-5-3-1-9-2-4(3)10-6(8)11-5;/h9H,1-2H2;1H
InChIKeyHQPWDHFFMDIBDT-UHFFFAOYSA-N
MW226.49 g/mol
LogP1.81
Rot. Bonds

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

2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride (PubChem CID 44630725) has the molecular formula C6H6Cl3N3 and a molecular weight of 226.49 g/mol. Its IUPAC name is 2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
PubChem CID44630725
Molecular FormulaC6H6Cl3N3
Molecular Weight226.49 g/mol
Exact Mass224.96
IUPAC Name2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
SMILESCl.Clc1nc(Cl)c2c(n1)CNC2
InChIInChI=1S/C6H5Cl2N3.ClH/c7-5-3-1-9-2-4(3)10-6(8)11-5;/h9H,1-2H2;1H
InChIKeyHQPWDHFFMDIBDT-UHFFFAOYSA-N
XLogP1.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride (CID 44630725) is 2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride is Cl.Clc1nc(Cl)c2c(n1)CNC2.
What is the InChIKey of 2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The InChIKey is HQPWDHFFMDIBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N3.ClH/c7-5-3-1-9-2-4(3)10-6(8)11-5;/h9H,1-2H2;1H.
What are the key properties of 2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride has a molecular weight of 226.49 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 44630725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).