4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine

C16H11BrFN3 — CID 104609469

IUPAC4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine
SMILESFc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1Br
InChIInChI=1S/C16H11BrFN3/c17-13-10-11(6-7-14(13)18)15-8-9-19-16(21-15)20-12-4-2-1-3-5-12/h1-10H,(H,19,20,21)
InChIKeyKOCVLUZWTXPRTH-UHFFFAOYSA-N
MW344.19 g/mol
LogP4.79
Rot. Bonds3

About 4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine

4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine (PubChem CID 104609469) has the molecular formula C16H11BrFN3 and a molecular weight of 344.19 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine
PubChem CID104609469
Molecular FormulaC16H11BrFN3
Molecular Weight344.19 g/mol
Exact Mass343.01
IUPAC Name4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine
SMILESFc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1Br
InChIInChI=1S/C16H11BrFN3/c17-13-10-11(6-7-14(13)18)15-8-9-19-16(21-15)20-12-4-2-1-3-5-12/h1-10H,(H,19,20,21)
InChIKeyKOCVLUZWTXPRTH-UHFFFAOYSA-N
XLogP4.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-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

Related Compounds

4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 57446828
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71233786
4-(5-chloro-7-fluoro-1H-indol-3-yl)-N-phenylpyrimidin-2-amine
CID 70156553
4-(2-morpholin-4-yl-4-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71458570
N-(4-fluorophenyl)-4-(3-phenyl-2,1-benzoxazol-5-yl)pyrimidin-2-amine
CID 10134485
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine
CID 59235722
3-N-[4-(3-aminophenyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 11492825
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982
4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 104609504

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine (CID 104609469) is 4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine is Fc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1Br.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine?
The InChIKey is KOCVLUZWTXPRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3/c17-13-10-11(6-7-14(13)18)15-8-9-19-16(21-15)20-12-4-2-1-3-5-12/h1-10H,(H,19,20,21).
What are the key properties of 4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine?
4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine has a molecular weight of 344.19 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 104609469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).