5-bromo-4-chloropyrimidin-2-amine

C4H3BrClN3 — CID 24903823

IUPAC5-bromo-4-chloropyrimidin-2-amine
SMILESNc1ncc(Br)c(Cl)n1
InChIInChI=1S/C4H3BrClN3/c5-2-1-8-4(7)9-3(2)6/h1H,(H2,7,8,9)
InChIKeyZNHIZVRENCRAPA-UHFFFAOYSA-N
MW208.45 g/mol
LogP1.47
Rot. Bonds

About 5-bromo-4-chloropyrimidin-2-amine

5-bromo-4-chloropyrimidin-2-amine (PubChem CID 24903823) has the molecular formula C4H3BrClN3 and a molecular weight of 208.45 g/mol. Its IUPAC name is 5-bromo-4-chloropyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-chloropyrimidin-2-amine
PubChem CID24903823
Molecular FormulaC4H3BrClN3
Molecular Weight208.45 g/mol
Exact Mass206.92
IUPAC Name5-bromo-4-chloropyrimidin-2-amine
SMILESNc1ncc(Br)c(Cl)n1
InChIInChI=1S/C4H3BrClN3/c5-2-1-8-4(7)9-3(2)6/h1H,(H2,7,8,9)
InChIKeyZNHIZVRENCRAPA-UHFFFAOYSA-N
XLogP1.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromopyrimidine
CID 78344
2,4,5-Trichloropyrimidine
CID 237259
2-Pyrimidinamine, 5-chloro-
CID 79479
2-Amino-5-bromopyrimidine
CID 231310
5-Chloropyrimidine
CID 12600384
Pyrimidine, 2,4-dichloro-5-methyl-
CID 74508
2,4-Dichloro-5-iodopyrimidine
CID 263438
4-Amino-5-bromopyrimidine
CID 10261576
2-Amino-4-chloropyrimidine
CID 223332
5-Bromo-4-chloro-2-(methylsulfanyl)pyrimidine
CID 265881
5-Bromo-2,4-dichloropyrimidine
CID 289973
5-Bromo-2-chloropyrimidine
CID 606665

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloropyrimidin-2-amine?
The IUPAC name of 5-bromo-4-chloropyrimidin-2-amine (CID 24903823) is 5-bromo-4-chloropyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-chloropyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-chloropyrimidin-2-amine is Nc1ncc(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4-chloropyrimidin-2-amine?
The InChIKey is ZNHIZVRENCRAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrClN3/c5-2-1-8-4(7)9-3(2)6/h1H,(H2,7,8,9).
What are the key properties of 5-bromo-4-chloropyrimidin-2-amine?
5-bromo-4-chloropyrimidin-2-amine has a molecular weight of 208.45 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloropyrimidin-2-amine is sourced from PubChem (CID 24903823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).