3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol

C12H13N3O — CID 702623

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
SMILESCc1cc(C)nc(Nc2cccc(O)c2)n1
InChIInChI=1S/C12H13N3O/c1-8-6-9(2)14-12(13-8)15-10-4-3-5-11(16)7-10/h3-7,16H,1-2H3,(H,13,14,15)
InChIKeyHLDRMBWIBILLLN-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.54
Rot. Bonds2

About 3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol

3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol (PubChem CID 702623) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
PubChem CID702623
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
SMILESCc1cc(C)nc(Nc2cccc(O)c2)n1
InChIInChI=1S/C12H13N3O/c1-8-6-9(2)14-12(13-8)15-10-4-3-5-11(16)7-10/h3-7,16H,1-2H3,(H,13,14,15)
InChIKeyHLDRMBWIBILLLN-UHFFFAOYSA-N
XLogP2.54
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol (CID 702623) is 3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol is Cc1cc(C)nc(Nc2cccc(O)c2)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol?
The InChIKey is HLDRMBWIBILLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-6-9(2)14-12(13-8)15-10-4-3-5-11(16)7-10/h3-7,16H,1-2H3,(H,13,14,15).
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol?
3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol has a molecular weight of 215.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol is sourced from PubChem (CID 702623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).