4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine

C6H3Cl2N3 — CID 11106092

IUPAC4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C6H3Cl2N3/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H,9,10,11)
InChIKeyVFTPONHUNNOSKG-UHFFFAOYSA-N
MW188.02 g/mol
LogP2.26
Rot. Bonds

About 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine

4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 11106092) has the molecular formula C6H3Cl2N3 and a molecular weight of 188.02 g/mol. Its IUPAC name is 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID11106092
Molecular FormulaC6H3Cl2N3
Molecular Weight188.02 g/mol
Exact Mass186.97
IUPAC Name4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C6H3Cl2N3/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H,9,10,11)
InChIKeyVFTPONHUNNOSKG-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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine (CID 11106092) is 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine is Clc1c[nH]c2ncnc(Cl)c12.
What is the InChIKey of 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is VFTPONHUNNOSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H,9,10,11).
What are the key properties of 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine?
4,5-dichloro-7H-pyrrolo[2,3-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 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 11106092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).