5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine

C8H9BrClN3 — CID 79076587

IUPAC5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCN(c1nc(Cl)ncc1Br)C1CC1
InChIInChI=1S/C8H9BrClN3/c1-13(5-2-3-5)7-6(9)4-11-8(10)12-7/h4-5H,2-3H2,1H3
InChIKeyNMTKTKLIWPSDNG-UHFFFAOYSA-N
MW262.54 g/mol
LogP2.49
Rot. Bonds2

About 5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine

5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 79076587) has the molecular formula C8H9BrClN3 and a molecular weight of 262.54 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID79076587
Molecular FormulaC8H9BrClN3
Molecular Weight262.54 g/mol
Exact Mass260.97
IUPAC Name5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCN(c1nc(Cl)ncc1Br)C1CC1
InChIInChI=1S/C8H9BrClN3/c1-13(5-2-3-5)7-6(9)4-11-8(10)12-7/h4-5H,2-3H2,1H3
InChIKeyNMTKTKLIWPSDNG-UHFFFAOYSA-N
XLogP2.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.54
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine (CID 79076587) is 5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine is CN(c1nc(Cl)ncc1Br)C1CC1.
What is the InChIKey of 5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is NMTKTKLIWPSDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3/c1-13(5-2-3-5)7-6(9)4-11-8(10)12-7/h4-5H,2-3H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine?
5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 262.54 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79076587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).