N-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine

C12H16ClFN4 — CID 141257678

IUPACN-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine
SMILESNCC1CC2CC(Nc3nc(Cl)ncc3F)C1C2
InChIInChI=1S/C12H16ClFN4/c13-12-16-5-9(14)11(18-12)17-10-3-6-1-7(4-15)8(10)2-6/h5-8,10H,1-4,15H2,(H,16,17,18)
InChIKeyBODOSCVKTPCGFJ-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.05
Rot. Bonds3

About N-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine

N-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine (PubChem CID 141257678) has the molecular formula C12H16ClFN4 and a molecular weight of 270.74 g/mol. Its IUPAC name is N-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine
PubChem CID141257678
Molecular FormulaC12H16ClFN4
Molecular Weight270.74 g/mol
Exact Mass270.10
IUPAC NameN-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine
SMILESNCC1CC2CC(Nc3nc(Cl)ncc3F)C1C2
InChIInChI=1S/C12H16ClFN4/c13-12-16-5-9(14)11(18-12)17-10-3-6-1-7(4-15)8(10)2-6/h5-8,10H,1-4,15H2,(H,16,17,18)
InChIKeyBODOSCVKTPCGFJ-UHFFFAOYSA-N
XLogP2.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine (CID 141257678) is N-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine is NCC1CC2CC(Nc3nc(Cl)ncc3F)C1C2.
What is the InChIKey of N-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine?
The InChIKey is BODOSCVKTPCGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN4/c13-12-16-5-9(14)11(18-12)17-10-3-6-1-7(4-15)8(10)2-6/h5-8,10H,1-4,15H2,(H,16,17,18).
What are the key properties of N-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine?
N-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine has a molecular weight of 270.74 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 141257678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).