5-bromo-6-chloro-N-methylpyrimidin-4-amine

C5H5BrClN3 — CID 91758969

IUPAC5-bromo-6-chloro-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(Cl)c1Br
InChIInChI=1S/C5H5BrClN3/c1-8-5-3(6)4(7)9-2-10-5/h2H,1H3,(H,8,9,10)
InChIKeyMPTOKOBUEJUSIS-UHFFFAOYSA-N
MW222.47 g/mol
LogP1.93
Rot. Bonds1

About 5-bromo-6-chloro-N-methylpyrimidin-4-amine

5-bromo-6-chloro-N-methylpyrimidin-4-amine (PubChem CID 91758969) has the molecular formula C5H5BrClN3 and a molecular weight of 222.47 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-methylpyrimidin-4-amine
PubChem CID91758969
Molecular FormulaC5H5BrClN3
Molecular Weight222.47 g/mol
Exact Mass220.94
IUPAC Name5-bromo-6-chloro-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(Cl)c1Br
InChIInChI=1S/C5H5BrClN3/c1-8-5-3(6)4(7)9-2-10-5/h2H,1H3,(H,8,9,10)
InChIKeyMPTOKOBUEJUSIS-UHFFFAOYSA-N
XLogP1.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.47
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-chloro-N-methylpyrimidin-4-amine (CID 91758969) is 5-bromo-6-chloro-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-chloro-N-methylpyrimidin-4-amine is CNc1ncnc(Cl)c1Br.
What is the InChIKey of 5-bromo-6-chloro-N-methylpyrimidin-4-amine?
The InChIKey is MPTOKOBUEJUSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrClN3/c1-8-5-3(6)4(7)9-2-10-5/h2H,1H3,(H,8,9,10).
What are the key properties of 5-bromo-6-chloro-N-methylpyrimidin-4-amine?
5-bromo-6-chloro-N-methylpyrimidin-4-amine has a molecular weight of 222.47 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 91758969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).