N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine

C12H15BrClN3 — CID 79073593

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine
SMILESClc1ncc(Br)c(NCC2CC3CCC2C3)n1
InChIInChI=1S/C12H15BrClN3/c13-10-6-16-12(14)17-11(10)15-5-9-4-7-1-2-8(9)3-7/h6-9H,1-5H2,(H,15,16,17)
InChIKeyHAKNJMYTCOEWFY-UHFFFAOYSA-N
MW316.63 g/mol
LogP3.74
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine (PubChem CID 79073593) has the molecular formula C12H15BrClN3 and a molecular weight of 316.63 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine
PubChem CID79073593
Molecular FormulaC12H15BrClN3
Molecular Weight316.63 g/mol
Exact Mass315.01
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine
SMILESClc1ncc(Br)c(NCC2CC3CCC2C3)n1
InChIInChI=1S/C12H15BrClN3/c13-10-6-16-12(14)17-11(10)15-5-9-4-7-1-2-8(9)3-7/h6-9H,1-5H2,(H,15,16,17)
InChIKeyHAKNJMYTCOEWFY-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine (CID 79073593) is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine is Clc1ncc(Br)c(NCC2CC3CCC2C3)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine?
The InChIKey is HAKNJMYTCOEWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3/c13-10-6-16-12(14)17-11(10)15-5-9-4-7-1-2-8(9)3-7/h6-9H,1-5H2,(H,15,16,17).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine has a molecular weight of 316.63 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine is sourced from PubChem (CID 79073593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).