5-bromo-4,6-dichloropyrimidin-2-amine

C4H2BrCl2N3 — CID 618288

IUPAC5-bromo-4,6-dichloropyrimidin-2-amine
SMILESNc1nc(Cl)c(Br)c(Cl)n1
InChIInChI=1S/C4H2BrCl2N3/c5-1-2(6)9-4(8)10-3(1)7/h(H2,8,9,10)
InChIKeyLAUORAFVFXRKDL-UHFFFAOYSA-N
MW242.89 g/mol
LogP2.13
Rot. Bonds

About 5-bromo-4,6-dichloropyrimidin-2-amine

5-bromo-4,6-dichloropyrimidin-2-amine (PubChem CID 618288) has the molecular formula C4H2BrCl2N3 and a molecular weight of 242.89 g/mol. Its IUPAC name is 5-bromo-4,6-dichloropyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4,6-dichloropyrimidin-2-amine
PubChem CID618288
Molecular FormulaC4H2BrCl2N3
Molecular Weight242.89 g/mol
Exact Mass240.88
IUPAC Name5-bromo-4,6-dichloropyrimidin-2-amine
SMILESNc1nc(Cl)c(Br)c(Cl)n1
InChIInChI=1S/C4H2BrCl2N3/c5-1-2(6)9-4(8)10-3(1)7/h(H2,8,9,10)
InChIKeyLAUORAFVFXRKDL-UHFFFAOYSA-N
XLogP2.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.89
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5,6-Tetrachloropyrimidine
CID 15690
2-Amino-4,6-dichloro-5-methylpyrimidine
CID 246751
Pyrimidine, 5-bromo-4,6-dichloro-
CID 111605
2,4,6-Trichloro-5-iodopyrimidine
CID 53415881
5-Bromo-2,4,6-trichloropyrimidine
CID 12369426
4,6-Dichloro-5-fluoropyrimidin-2-amine
CID 15221577
5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine
CID 261187
5-Bromo-6-chloropyrimidin-4-amine
CID 45789713
4,5,6-Trichloropyrimidin-2-amine
CID 345630
5-(Bromomethyl)-2,4,6-trichloropyrimidine
CID 231053
2,4,6-Trichloro-5-fluoropyrimidine
CID 13388993
4,6-Dichloro-5-iodopyrimidin-2-amine
CID 62706698

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dichloropyrimidin-2-amine?
The IUPAC name of 5-bromo-4,6-dichloropyrimidin-2-amine (CID 618288) is 5-bromo-4,6-dichloropyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4,6-dichloropyrimidin-2-amine?
The canonical SMILES for 5-bromo-4,6-dichloropyrimidin-2-amine is Nc1nc(Cl)c(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4,6-dichloropyrimidin-2-amine?
The InChIKey is LAUORAFVFXRKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrCl2N3/c5-1-2(6)9-4(8)10-3(1)7/h(H2,8,9,10).
What are the key properties of 5-bromo-4,6-dichloropyrimidin-2-amine?
5-bromo-4,6-dichloropyrimidin-2-amine has a molecular weight of 242.89 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dichloropyrimidin-2-amine is sourced from PubChem (CID 618288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).