2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine

C16H11ClFN3 — CID 79080683

IUPAC2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H11ClFN3/c17-16-19-10-14(18)15(21-16)20-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,19,20,21)
InChIKeyITKCAMMOSLNZSZ-UHFFFAOYSA-N
MW299.74 g/mol
LogP4.68
Rot. Bonds3

About 2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine (PubChem CID 79080683) has the molecular formula C16H11ClFN3 and a molecular weight of 299.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine
PubChem CID79080683
Molecular FormulaC16H11ClFN3
Molecular Weight299.74 g/mol
Exact Mass299.06
IUPAC Name2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H11ClFN3/c17-16-19-10-14(18)15(21-16)20-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,19,20,21)
InChIKeyITKCAMMOSLNZSZ-UHFFFAOYSA-N
XLogP4.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine (CID 79080683) is 2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine is Fc1cnc(Cl)nc1Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine?
The InChIKey is ITKCAMMOSLNZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3/c17-16-19-10-14(18)15(21-16)20-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,19,20,21).
What are the key properties of 2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine has a molecular weight of 299.74 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 79080683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).