3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol

C17H15N3O — CID 162655581

IUPAC3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol
SMILESCc1cc(Nc2cccc(O)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H15N3O/c1-12-10-16(19-14-8-5-9-15(21)11-14)20-17(18-12)13-6-3-2-4-7-13/h2-11,21H,1H3,(H,18,19,20)
InChIKeyVKFQTGAZWPNXMC-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.90
Rot. Bonds3

About 3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol

3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol (PubChem CID 162655581) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol
PubChem CID162655581
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol
SMILESCc1cc(Nc2cccc(O)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H15N3O/c1-12-10-16(19-14-8-5-9-15(21)11-14)20-17(18-12)13-6-3-2-4-7-13/h2-11,21H,1H3,(H,18,19,20)
InChIKeyVKFQTGAZWPNXMC-UHFFFAOYSA-N
XLogP3.90
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol?
The IUPAC name of 3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol (CID 162655581) is 3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol?
The canonical SMILES for 3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol is Cc1cc(Nc2cccc(O)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol?
The InChIKey is VKFQTGAZWPNXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-10-16(19-14-8-5-9-15(21)11-14)20-17(18-12)13-6-3-2-4-7-13/h2-11,21H,1H3,(H,18,19,20).
What are the key properties of 3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol?
3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol has a molecular weight of 277.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 162655581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).