2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol

C16H11ClFN3O — CID 135966544

IUPAC2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol
SMILESNc1nc(-c2ccc(Cl)cc2)cc(-c2cc(F)ccc2O)n1
InChIInChI=1S/C16H11ClFN3O/c17-10-3-1-9(2-4-10)13-8-14(21-16(19)20-13)12-7-11(18)5-6-15(12)22/h1-8,22H,(H2,19,20,21)
InChIKeyLDJINJHCEONJJP-UHFFFAOYSA-N
MW315.74 g/mol
LogP3.89
Rot. Bonds2

About 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol

2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol (PubChem CID 135966544) has the molecular formula C16H11ClFN3O and a molecular weight of 315.74 g/mol. Its IUPAC name is 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol
PubChem CID135966544
Molecular FormulaC16H11ClFN3O
Molecular Weight315.74 g/mol
Exact Mass315.06
IUPAC Name2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol
SMILESNc1nc(-c2ccc(Cl)cc2)cc(-c2cc(F)ccc2O)n1
InChIInChI=1S/C16H11ClFN3O/c17-10-3-1-9(2-4-10)13-8-14(21-16(19)20-13)12-7-11(18)5-6-15(12)22/h1-8,22H,(H2,19,20,21)
InChIKeyLDJINJHCEONJJP-UHFFFAOYSA-N
XLogP3.89
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol?
The IUPAC name of 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol (CID 135966544) is 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol.
What is the SMILES notation for 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol?
The canonical SMILES for 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol is Nc1nc(-c2ccc(Cl)cc2)cc(-c2cc(F)ccc2O)n1.
What is the InChIKey of 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol?
The InChIKey is LDJINJHCEONJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O/c17-10-3-1-9(2-4-10)13-8-14(21-16(19)20-13)12-7-11(18)5-6-15(12)22/h1-8,22H,(H2,19,20,21).
What are the key properties of 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol?
2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol has a molecular weight of 315.74 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-fluorophenol is sourced from PubChem (CID 135966544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).