5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine

C10H5Cl2N5 — CID 164575900

IUPAC5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine
SMILESClc1ncc(Cl)c(-n2ccc3ncncc32)n1
InChIInChI=1S/C10H5Cl2N5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H
InChIKeyMZVKJKCCHKCFTH-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.52
Rot. Bonds1

About 5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine

5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine (PubChem CID 164575900) has the molecular formula C10H5Cl2N5 and a molecular weight of 266.09 g/mol. Its IUPAC name is 5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine
PubChem CID164575900
Molecular FormulaC10H5Cl2N5
Molecular Weight266.09 g/mol
Exact Mass264.99
IUPAC Name5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine
SMILESClc1ncc(Cl)c(-n2ccc3ncncc32)n1
InChIInChI=1S/C10H5Cl2N5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H
InChIKeyMZVKJKCCHKCFTH-UHFFFAOYSA-N
XLogP2.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine (CID 164575900) is 5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine is Clc1ncc(Cl)c(-n2ccc3ncncc32)n1.
What is the InChIKey of 5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine?
The InChIKey is MZVKJKCCHKCFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H.
What are the key properties of 5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine?
5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine has a molecular weight of 266.09 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 164575900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).