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

C10H5BrClN5 — CID 164575899

IUPAC5-(5-bromo-2-chloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine
SMILESClc1ncc(Br)c(-n2ccc3ncncc32)n1
InChIInChI=1S/C10H5BrClN5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H
InChIKeyVSZVVLDJLHIOHV-UHFFFAOYSA-N
MW310.54 g/mol
LogP2.63
Rot. Bonds1

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

5-(5-bromo-2-chloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine (PubChem CID 164575899) has the molecular formula C10H5BrClN5 and a molecular weight of 310.54 g/mol. Its IUPAC name is 5-(5-bromo-2-chloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name5-(5-bromo-2-chloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine
PubChem CID164575899
Molecular FormulaC10H5BrClN5
Molecular Weight310.54 g/mol
Exact Mass308.94
IUPAC Name5-(5-bromo-2-chloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine
SMILESClc1ncc(Br)c(-n2ccc3ncncc32)n1
InChIInChI=1S/C10H5BrClN5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H
InChIKeyVSZVVLDJLHIOHV-UHFFFAOYSA-N
XLogP2.63
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.54
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Glu-P 2
CID 49970
Glu-P 1
CID 49971
5H-Pyrrolo(3,2-d)pyrimidin-4-amine
CID 5287565
N-cyclohexyl-4-(imidazo(1,2-a)pyridin-3-yl)-N-methylpyrimidin-2-amine
CID 24801862
2-(pyridin-2-yl)-1H-imidazo(4,5-c)pyridine
CID 947740
Sotirimod
CID 6450818
T-808
CID 53339381
1-phenyl-1H-imidazo[4,5-c]pyridine
CID 5328473
1-methyl-1H-imidazo(4,5-c)pyridine
CID 12299352
4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyrimidin-2-amine
CID 6539009
2-Anilino-4-(imidazo[1,2-a]pyrid-3-yl)pyrimidine
CID 6539022
1-(2-pyridinyl)-1H-benzimidazole
CID 852492

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-chloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 5-(5-bromo-2-chloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine (CID 164575899) is 5-(5-bromo-2-chloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 5-(5-bromo-2-chloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 5-(5-bromo-2-chloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine is Clc1ncc(Br)c(-n2ccc3ncncc32)n1.
What is the InChIKey of 5-(5-bromo-2-chloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine?
The InChIKey is VSZVVLDJLHIOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN5/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-(5-bromo-2-chloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine?
5-(5-bromo-2-chloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine has a molecular weight of 310.54 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-chloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 164575899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).