5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine

C7H4Br2N4 — CID 66320185

IUPAC5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine
SMILESBrc1cnn(-c2ncncc2Br)c1
InChIInChI=1S/C7H4Br2N4/c8-5-1-12-13(3-5)7-6(9)2-10-4-11-7/h1-4H
InChIKeyRLDWALMRQOLFPG-UHFFFAOYSA-N
MW303.95 g/mol
LogP2.19
Rot. Bonds1

About 5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine

5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine (PubChem CID 66320185) has the molecular formula C7H4Br2N4 and a molecular weight of 303.95 g/mol. Its IUPAC name is 5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine
PubChem CID66320185
Molecular FormulaC7H4Br2N4
Molecular Weight303.95 g/mol
Exact Mass301.88
IUPAC Name5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine
SMILESBrc1cnn(-c2ncncc2Br)c1
InChIInChI=1S/C7H4Br2N4/c8-5-1-12-13(3-5)7-6(9)2-10-4-11-7/h1-4H
InChIKeyRLDWALMRQOLFPG-UHFFFAOYSA-N
XLogP2.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.95
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Taminadenant
CID 53466958
3-Bromopyrazolo(1,5-a)pyrimidine
CID 12203208
6-Bromo-[1,2,4]triazolo[1,5-a]pyrimidine
CID 15866980
6-(Azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine
CID 53467183
5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467187
5-bromo-4-N-methyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467620
3-Bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 82392080
6-Bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 614285
6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 10749494
6-Bromo-3-methyl[1,2,4]triazolo[4,3-a]pyrimidine
CID 74889140
4-bromo-1-(pyrimidin-2-yl)-1H-pyrazol-3-amine
CID 61176054
3-Bromo-6-methylpyrazolo(1,5-a)pyrimidine
CID 18732329

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine?
The IUPAC name of 5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine (CID 66320185) is 5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine is Brc1cnn(-c2ncncc2Br)c1.
What is the InChIKey of 5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine?
The InChIKey is RLDWALMRQOLFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2N4/c8-5-1-12-13(3-5)7-6(9)2-10-4-11-7/h1-4H.
What are the key properties of 5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine?
5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine has a molecular weight of 303.95 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine is sourced from PubChem (CID 66320185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).