6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine

C9H12Br2ClN3 — CID 3070104

IUPAC6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Cl)c1CC(Br)CBr
InChIInChI=1S/C9H12Br2ClN3/c1-5-14-8(12)7(3-6(11)4-10)9(13-2)15-5/h6H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyWNYQCYJYKZEAKU-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.18
Rot. Bonds4

About 6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine

6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine (PubChem CID 3070104) has the molecular formula C9H12Br2ClN3 and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine
PubChem CID3070104
Molecular FormulaC9H12Br2ClN3
Molecular Weight357.48 g/mol
Exact Mass354.91
IUPAC Name6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Cl)c1CC(Br)CBr
InChIInChI=1S/C9H12Br2ClN3/c1-5-14-8(12)7(3-6(11)4-10)9(13-2)15-5/h6H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyWNYQCYJYKZEAKU-UHFFFAOYSA-N
XLogP3.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-Pyrimidinamine, 6-chloro-5-(2,3-dibromopropyl)-2-methyl-
CID 3070103
Pyrimidine, 4-amino-6-chloro-2-methyl-5-propyl-
CID 3025150
Pyrimidine, 4-amino-5-butyl-6-chloro-2-methyl-
CID 3025147
Pyrimidine, 4-amino-6-chloro-2-methyl-5-pentyl-
CID 3025149
Ethanol, 2-((6-chloro-5-(2,3-dibromopropyl)-2-methyl-4-pyrimidinyl)amino)-
CID 3070105
4,6-Dichloro-2-methyl-5-propylpyrimidine
CID 63611489
6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine
CID 164917358
1-(4,6-Dichloro-2-methylpyrimidin-5-yl)propan-1-amine
CID 177907828
6-chloro-5-[(2S)-2,3-dibromopropyl]-2-methylpyrimidin-4-amine
CID 913010
6-chloro-5-[(2R)-2,3-dibromopropyl]-2-methylpyrimidin-4-amine
CID 913011
4,6-dichloro-5-[(2S)-2,3-dibromopropyl]-2-methylpyrimidine
CID 1882656
4,6-dichloro-5-[(2R)-2,3-dibromopropyl]-2-methylpyrimidine
CID 1882657

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine (CID 3070104) is 6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine is CNc1nc(C)nc(Cl)c1CC(Br)CBr.
What is the InChIKey of 6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is WNYQCYJYKZEAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2ClN3/c1-5-14-8(12)7(3-6(11)4-10)9(13-2)15-5/h6H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine?
6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 357.48 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 3070104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).