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

C12H15ClFN3 — CID 79075578

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCC1CC2CCC1C2
InChIInChI=1S/C12H15ClFN3/c13-12-16-6-10(14)11(17-12)15-5-9-4-7-1-2-8(9)3-7/h6-9H,1-5H2,(H,15,16,17)
InChIKeyMCSHEOWTMYNGJY-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.12
Rot. Bonds3

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

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoropyrimidin-4-amine (PubChem CID 79075578) has the molecular formula C12H15ClFN3 and a molecular weight of 255.72 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoropyrimidin-4-amine
PubChem CID79075578
Molecular FormulaC12H15ClFN3
Molecular Weight255.72 g/mol
Exact Mass255.09
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCC1CC2CCC1C2
InChIInChI=1S/C12H15ClFN3/c13-12-16-6-10(14)11(17-12)15-5-9-4-7-1-2-8(9)3-7/h6-9H,1-5H2,(H,15,16,17)
InChIKeyMCSHEOWTMYNGJY-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bicyclo[2.2.1]heptanylmethyl)-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]heptanylmethyl)-2-chloro-5-fluoropyrimidin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoropyrimidin-4-amine (CID 79075578) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoropyrimidin-4-amine is Fc1cnc(Cl)nc1NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoropyrimidin-4-amine?
The InChIKey is MCSHEOWTMYNGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3/c13-12-16-6-10(14)11(17-12)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)-2-chloro-5-fluoropyrimidin-4-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoropyrimidin-4-amine has a molecular weight of 255.72 g/mol, XLogP of 3.12, 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)-2-chloro-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 79075578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).