5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine

C13H21BrClN3 — CID 79491057

IUPAC5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)N(CC(C)C)c1nc(Cl)ncc1Br
InChIInChI=1S/C13H21BrClN3/c1-5-10(6-2)18(8-9(3)4)12-11(14)7-16-13(15)17-12/h7,9-10H,5-6,8H2,1-4H3
InChIKeyMIJWJUFRMCYLOI-UHFFFAOYSA-N
MW334.69 g/mol
LogP4.54
Rot. Bonds6

About 5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine

5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine (PubChem CID 79491057) has the molecular formula C13H21BrClN3 and a molecular weight of 334.69 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
PubChem CID79491057
Molecular FormulaC13H21BrClN3
Molecular Weight334.69 g/mol
Exact Mass333.06
IUPAC Name5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)N(CC(C)C)c1nc(Cl)ncc1Br
InChIInChI=1S/C13H21BrClN3/c1-5-10(6-2)18(8-9(3)4)12-11(14)7-16-13(15)17-12/h7,9-10H,5-6,8H2,1-4H3
InChIKeyMIJWJUFRMCYLOI-UHFFFAOYSA-N
XLogP4.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 54.54
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-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine (CID 79491057) is 5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine is CCC(CC)N(CC(C)C)c1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine?
The InChIKey is MIJWJUFRMCYLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrClN3/c1-5-10(6-2)18(8-9(3)4)12-11(14)7-16-13(15)17-12/h7,9-10H,5-6,8H2,1-4H3.
What are the key properties of 5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine?
5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine has a molecular weight of 334.69 g/mol, XLogP of 4.54, 6 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-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 79491057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).