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

C6H7Cl2N3 — CID 71302509

IUPAC2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
SMILESCl.Clc1ncc2c(n1)CNC2
InChIInChI=1S/C6H6ClN3.ClH/c7-6-9-2-4-1-8-3-5(4)10-6;/h2,8H,1,3H2;1H
InChIKeyBPTXRFXCELOADD-UHFFFAOYSA-N
MW192.05 g/mol
LogP1.15
Rot. Bonds

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

2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride (PubChem CID 71302509) has the molecular formula C6H7Cl2N3 and a molecular weight of 192.05 g/mol. Its IUPAC name is 2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
PubChem CID71302509
Molecular FormulaC6H7Cl2N3
Molecular Weight192.05 g/mol
Exact Mass191.00
IUPAC Name2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
SMILESCl.Clc1ncc2c(n1)CNC2
InChIInChI=1S/C6H6ClN3.ClH/c7-6-9-2-4-1-8-3-5(4)10-6;/h2,8H,1,3H2;1H
InChIKeyBPTXRFXCELOADD-UHFFFAOYSA-N
XLogP1.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.05
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride (CID 71302509) is 2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride is Cl.Clc1ncc2c(n1)CNC2.
What is the InChIKey of 2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The InChIKey is BPTXRFXCELOADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3.ClH/c7-6-9-2-4-1-8-3-5(4)10-6;/h2,8H,1,3H2;1H.
What are the key properties of 2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride has a molecular weight of 192.05 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 71302509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).