N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine

C12H12FN3 — CID 58757238

IUPACN-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESFCc1ccc(CNc2ncccn2)cc1
InChIInChI=1S/C12H12FN3/c13-8-10-2-4-11(5-3-10)9-16-12-14-6-1-7-15-12/h1-7H,8-9H2,(H,14,15,16)
InChIKeyVIIJEINJWVDDFS-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.56
Rot. Bonds4

About N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine

N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 58757238) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID58757238
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC NameN-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESFCc1ccc(CNc2ncccn2)cc1
InChIInChI=1S/C12H12FN3/c13-8-10-2-4-11(5-3-10)9-16-12-14-6-1-7-15-12/h1-7H,8-9H2,(H,14,15,16)
InChIKeyVIIJEINJWVDDFS-UHFFFAOYSA-N
XLogP2.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-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-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine (CID 58757238) is N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine is FCc1ccc(CNc2ncccn2)cc1.
What is the InChIKey of N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is VIIJEINJWVDDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c13-8-10-2-4-11(5-3-10)9-16-12-14-6-1-7-15-12/h1-7H,8-9H2,(H,14,15,16).
What are the key properties of N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine?
N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 217.25 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 58757238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).