N-benzyl-4,6-difluoropyrimidin-2-amine

C11H9F2N3 — CID 748218

IUPACN-benzyl-4,6-difluoropyrimidin-2-amine
SMILESFc1cc(F)nc(NCc2ccccc2)n1
InChIInChI=1S/C11H9F2N3/c12-9-6-10(13)16-11(15-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15,16)
InChIKeyDEXFDWDQRUGQPH-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.37
Rot. Bonds3

About N-benzyl-4,6-difluoropyrimidin-2-amine

N-benzyl-4,6-difluoropyrimidin-2-amine (PubChem CID 748218) has the molecular formula C11H9F2N3 and a molecular weight of 221.21 g/mol. Its IUPAC name is N-benzyl-4,6-difluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4,6-difluoropyrimidin-2-amine
PubChem CID748218
Molecular FormulaC11H9F2N3
Molecular Weight221.21 g/mol
Exact Mass221.08
IUPAC NameN-benzyl-4,6-difluoropyrimidin-2-amine
SMILESFc1cc(F)nc(NCc2ccccc2)n1
InChIInChI=1S/C11H9F2N3/c12-9-6-10(13)16-11(15-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15,16)
InChIKeyDEXFDWDQRUGQPH-UHFFFAOYSA-N
XLogP2.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4,6-difluoropyrimidin-2-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-benzyl-4,6-difluoropyrimidin-2-amine?
The IUPAC name of N-benzyl-4,6-difluoropyrimidin-2-amine (CID 748218) is N-benzyl-4,6-difluoropyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4,6-difluoropyrimidin-2-amine?
The canonical SMILES for N-benzyl-4,6-difluoropyrimidin-2-amine is Fc1cc(F)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4,6-difluoropyrimidin-2-amine?
The InChIKey is DEXFDWDQRUGQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3/c12-9-6-10(13)16-11(15-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15,16).
What are the key properties of N-benzyl-4,6-difluoropyrimidin-2-amine?
N-benzyl-4,6-difluoropyrimidin-2-amine has a molecular weight of 221.21 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,6-difluoropyrimidin-2-amine is sourced from PubChem (CID 748218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).