2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol

C16H15N3O — CID 116902289

IUPAC2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol
SMILESNCC(O)c1nccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C16H15N3O/c17-10-15(20)16-18-9-8-14(19-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,15,20H,10,17H2
InChIKeyRNKKMCYNWBIDAN-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.29
Rot. Bonds3

About 2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol

2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol (PubChem CID 116902289) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol
PubChem CID116902289
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol
SMILESNCC(O)c1nccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C16H15N3O/c17-10-15(20)16-18-9-8-14(19-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,15,20H,10,17H2
InChIKeyRNKKMCYNWBIDAN-UHFFFAOYSA-N
XLogP2.29
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol?
The IUPAC name of 2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol (CID 116902289) is 2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol is NCC(O)c1nccc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol?
The InChIKey is RNKKMCYNWBIDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-10-15(20)16-18-9-8-14(19-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,15,20H,10,17H2.
What are the key properties of 2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol?
2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol has a molecular weight of 265.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol is sourced from PubChem (CID 116902289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).