N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine

C11H13ClFN3 — CID 79075583

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CC2CCC1C2
InChIInChI=1S/C11H13ClFN3/c12-11-14-5-8(13)10(16-11)15-9-4-6-1-2-7(9)3-6/h5-7,9H,1-4H2,(H,14,15,16)
InChIKeyJGOFZGHKHGAETH-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.87
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine

N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine (PubChem CID 79075583) has the molecular formula C11H13ClFN3 and a molecular weight of 241.70 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine
PubChem CID79075583
Molecular FormulaC11H13ClFN3
Molecular Weight241.70 g/mol
Exact Mass241.08
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CC2CCC1C2
InChIInChI=1S/C11H13ClFN3/c12-11-14-5-8(13)10(16-11)15-9-4-6-1-2-7(9)3-6/h5-7,9H,1-4H2,(H,14,15,16)
InChIKeyJGOFZGHKHGAETH-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine (CID 79075583) is N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine is Fc1cnc(Cl)nc1NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine?
The InChIKey is JGOFZGHKHGAETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3/c12-11-14-5-8(13)10(16-11)15-9-4-6-1-2-7(9)3-6/h5-7,9H,1-4H2,(H,14,15,16).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine?
N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine has a molecular weight of 241.70 g/mol, XLogP of 2.87, 2 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]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 79075583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).