4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol

C16H12ClN3O — CID 134143159

IUPAC4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol
SMILESNc1ncc(-c2ccc(O)c(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C16H12ClN3O/c17-13-8-11(6-7-14(13)21)12-9-19-16(18)20-15(12)10-4-2-1-3-5-10/h1-9,21H,(H2,18,19,20)
InChIKeyDVCQZPDLPAZRBU-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.75
Rot. Bonds2

About 4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol

4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol (PubChem CID 134143159) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol.

Molecular Properties

Compound Name4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol
PubChem CID134143159
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol
SMILESNc1ncc(-c2ccc(O)c(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C16H12ClN3O/c17-13-8-11(6-7-14(13)21)12-9-19-16(18)20-15(12)10-4-2-1-3-5-10/h1-9,21H,(H2,18,19,20)
InChIKeyDVCQZPDLPAZRBU-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 4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol?
The IUPAC name of 4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol (CID 134143159) is 4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol.
What is the SMILES notation for 4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol?
The canonical SMILES for 4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol is Nc1ncc(-c2ccc(O)c(Cl)c2)c(-c2ccccc2)n1.
What is the InChIKey of 4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol?
The InChIKey is DVCQZPDLPAZRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-8-11(6-7-14(13)21)12-9-19-16(18)20-15(12)10-4-2-1-3-5-10/h1-9,21H,(H2,18,19,20).
What are the key properties of 4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol?
4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol 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 4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol is sourced from PubChem (CID 134143159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).