6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;dihydrochloride

C6H9Cl2N3 — CID 126806755

IUPAC6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;dihydrochloride
SMILESCl.Cl.c1ncc2c(n1)NCC2
InChIInChI=1S/C6H7N3.2ClH/c1-2-8-6-5(1)3-7-4-9-6;;/h3-4H,1-2H2,(H,7,8,9);2*1H
InChIKeyGQCJFWLRLOHRHP-UHFFFAOYSA-N
MW194.06 g/mol
LogP1.29
Rot. Bonds

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

6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;dihydrochloride (PubChem CID 126806755) has the molecular formula C6H9Cl2N3 and a molecular weight of 194.06 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;dihydrochloride
PubChem CID126806755
Molecular FormulaC6H9Cl2N3
Molecular Weight194.06 g/mol
Exact Mass193.02
IUPAC Name6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;dihydrochloride
SMILESCl.Cl.c1ncc2c(n1)NCC2
InChIInChI=1S/C6H7N3.2ClH/c1-2-8-6-5(1)3-7-4-9-6;;/h3-4H,1-2H2,(H,7,8,9);2*1H
InChIKeyGQCJFWLRLOHRHP-UHFFFAOYSA-N
XLogP1.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;dihydrochloride?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;dihydrochloride (CID 126806755) is 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;dihydrochloride.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;dihydrochloride?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;dihydrochloride is Cl.Cl.c1ncc2c(n1)NCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;dihydrochloride?
The InChIKey is GQCJFWLRLOHRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3.2ClH/c1-2-8-6-5(1)3-7-4-9-6;;/h3-4H,1-2H2,(H,7,8,9);2*1H.
What are the key properties of 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;dihydrochloride?
6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;dihydrochloride has a molecular weight of 194.06 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;dihydrochloride is sourced from PubChem (CID 126806755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).