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

C16H13N3O — CID 134153079

IUPAC4-(2-amino-4-phenylpyrimidin-5-yl)phenol
SMILESNc1ncc(-c2ccc(O)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C16H13N3O/c17-16-18-10-14(11-6-8-13(20)9-7-11)15(19-16)12-4-2-1-3-5-12/h1-10,20H,(H2,17,18,19)
InChIKeyJWCUKDBKJOKOJS-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.10
Rot. Bonds2

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

4-(2-amino-4-phenylpyrimidin-5-yl)phenol (PubChem CID 134153079) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(2-amino-4-phenylpyrimidin-5-yl)phenol.

Molecular Properties

Compound Name4-(2-amino-4-phenylpyrimidin-5-yl)phenol
PubChem CID134153079
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name4-(2-amino-4-phenylpyrimidin-5-yl)phenol
SMILESNc1ncc(-c2ccc(O)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C16H13N3O/c17-16-18-10-14(11-6-8-13(20)9-7-11)15(19-16)12-4-2-1-3-5-12/h1-10,20H,(H2,17,18,19)
InChIKeyJWCUKDBKJOKOJS-UHFFFAOYSA-N
XLogP3.10
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.10
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)phenol?
The IUPAC name of 4-(2-amino-4-phenylpyrimidin-5-yl)phenol (CID 134153079) is 4-(2-amino-4-phenylpyrimidin-5-yl)phenol.
What is the SMILES notation for 4-(2-amino-4-phenylpyrimidin-5-yl)phenol?
The canonical SMILES for 4-(2-amino-4-phenylpyrimidin-5-yl)phenol is Nc1ncc(-c2ccc(O)cc2)c(-c2ccccc2)n1.
What is the InChIKey of 4-(2-amino-4-phenylpyrimidin-5-yl)phenol?
The InChIKey is JWCUKDBKJOKOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-16-18-10-14(11-6-8-13(20)9-7-11)15(19-16)12-4-2-1-3-5-12/h1-10,20H,(H2,17,18,19).
What are the key properties of 4-(2-amino-4-phenylpyrimidin-5-yl)phenol?
4-(2-amino-4-phenylpyrimidin-5-yl)phenol has a molecular weight of 263.30 g/mol, XLogP of 3.10, 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)phenol is sourced from PubChem (CID 134153079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).