2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine

C6H3Cl2N3 — CID 5375053

IUPAC2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine
SMILESClc1nc(Cl)c2[nH]ccc2n1
InChIInChI=1S/C6H3Cl2N3/c7-5-4-3(1-2-9-4)10-6(8)11-5/h1-2,9H
InChIKeyMVTLFDKTYGKJEX-UHFFFAOYSA-N
MW188.02 g/mol
LogP2.26
Rot. Bonds

About 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine

2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 5375053) has the molecular formula C6H3Cl2N3 and a molecular weight of 188.02 g/mol. Its IUPAC name is 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID5375053
Molecular FormulaC6H3Cl2N3
Molecular Weight188.02 g/mol
Exact Mass186.97
IUPAC Name2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine
SMILESClc1nc(Cl)c2[nH]ccc2n1
InChIInChI=1S/C6H3Cl2N3/c7-5-4-3(1-2-9-4)10-6(8)11-5/h1-2,9H
InChIKeyMVTLFDKTYGKJEX-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine 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 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine (CID 5375053) is 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine is Clc1nc(Cl)c2[nH]ccc2n1.
What is the InChIKey of 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is MVTLFDKTYGKJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3/c7-5-4-3(1-2-9-4)10-6(8)11-5/h1-2,9H.
What are the key properties of 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine?
2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 188.02 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 5375053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).