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

C16H12ClN3O — CID 2727351

IUPAC2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol
SMILESNc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2O)n1
InChIInChI=1S/C16H12ClN3O/c17-11-7-5-10(6-8-11)13-9-14(20-16(18)19-13)12-3-1-2-4-15(12)21/h1-9,21H,(H2,18,19,20)
InChIKeyCMYSPHIEHNZLJW-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.75
Rot. Bonds2

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

2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol (PubChem CID 2727351) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol
PubChem CID2727351
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol
SMILESNc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2O)n1
InChIInChI=1S/C16H12ClN3O/c17-11-7-5-10(6-8-11)13-9-14(20-16(18)19-13)12-3-1-2-4-15(12)21/h1-9,21H,(H2,18,19,20)
InChIKeyCMYSPHIEHNZLJW-UHFFFAOYSA-N
XLogP3.75
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.75
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]phenol?
The IUPAC name of 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol (CID 2727351) is 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol is Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2O)n1.
What is the InChIKey of 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol?
The InChIKey is CMYSPHIEHNZLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-11-7-5-10(6-8-11)13-9-14(20-16(18)19-13)12-3-1-2-4-15(12)21/h1-9,21H,(H2,18,19,20).
What are the key properties of 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol?
2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol has a molecular weight of 297.75 g/mol, XLogP of 3.75, 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]phenol is sourced from PubChem (CID 2727351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).