2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol

C13H15N3O — CID 51361052

IUPAC2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol
SMILESCc1ccnc(Nc2ccc(CCO)cc2)n1
InChIInChI=1S/C13H15N3O/c1-10-6-8-14-13(15-10)16-12-4-2-11(3-5-12)7-9-17/h2-6,8,17H,7,9H2,1H3,(H,14,15,16)
InChIKeyOAPNJWBUPQEFMZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.06
Rot. Bonds4

About 2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol

2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol (PubChem CID 51361052) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol
PubChem CID51361052
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol
SMILESCc1ccnc(Nc2ccc(CCO)cc2)n1
InChIInChI=1S/C13H15N3O/c1-10-6-8-14-13(15-10)16-12-4-2-11(3-5-12)7-9-17/h2-6,8,17H,7,9H2,1H3,(H,14,15,16)
InChIKeyOAPNJWBUPQEFMZ-UHFFFAOYSA-N
XLogP2.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 10802
CID 10802
CID 598777
CID 598777
CID 10803
CID 10803
CID 72793043
CID 72793043
CID 17118
CID 17118
CID 11160875
CID 11160875
CID 9908026
CID 9908026
CID 18516919
CID 18516919
CID 24824393
CID 24824393
CID 67984037
CID 67984037
CID 69023801
CID 69023801
CID 56967661
CID 56967661

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol?
The IUPAC name of 2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol (CID 51361052) is 2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol is Cc1ccnc(Nc2ccc(CCO)cc2)n1.
What is the InChIKey of 2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol?
The InChIKey is OAPNJWBUPQEFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-6-8-14-13(15-10)16-12-4-2-11(3-5-12)7-9-17/h2-6,8,17H,7,9H2,1H3,(H,14,15,16).
What are the key properties of 2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol?
2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol has a molecular weight of 229.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylpyrimidin-2-yl)amino]phenyl]ethanol is sourced from PubChem (CID 51361052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).