N-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine

C14H12FN5 — CID 53015206

IUPACN-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine
SMILESFc1cccc(CNc2cc(-n3ccnc3)ncn2)c1
InChIInChI=1S/C14H12FN5/c15-12-3-1-2-11(6-12)8-17-13-7-14(19-9-18-13)20-5-4-16-10-20/h1-7,9-10H,8H2,(H,17,18,19)
InChIKeyRLPJMXVSZZNOPJ-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.41
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine

N-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine (PubChem CID 53015206) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine
PubChem CID53015206
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC NameN-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine
SMILESFc1cccc(CNc2cc(-n3ccnc3)ncn2)c1
InChIInChI=1S/C14H12FN5/c15-12-3-1-2-11(6-12)8-17-13-7-14(19-9-18-13)20-5-4-16-10-20/h1-7,9-10H,8H2,(H,17,18,19)
InChIKeyRLPJMXVSZZNOPJ-UHFFFAOYSA-N
XLogP2.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-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-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine (CID 53015206) is N-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine is Fc1cccc(CNc2cc(-n3ccnc3)ncn2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine?
The InChIKey is RLPJMXVSZZNOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5/c15-12-3-1-2-11(6-12)8-17-13-7-14(19-9-18-13)20-5-4-16-10-20/h1-7,9-10H,8H2,(H,17,18,19).
What are the key properties of N-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine?
N-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine has a molecular weight of 269.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-6-imidazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 53015206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).