2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol

C11H13N3OS — CID 116975040

IUPAC2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol
SMILESCc1ccsc1-c1cnc(NCCO)nc1
InChIInChI=1S/C11H13N3OS/c1-8-2-5-16-10(8)9-6-13-11(14-7-9)12-3-4-15/h2,5-7,15H,3-4H2,1H3,(H,12,13,14)
InChIKeyNIFVEYXTNACXFJ-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.92
Rot. Bonds4

About 2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol

2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol (PubChem CID 116975040) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol
PubChem CID116975040
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol
SMILESCc1ccsc1-c1cnc(NCCO)nc1
InChIInChI=1S/C11H13N3OS/c1-8-2-5-16-10(8)9-6-13-11(14-7-9)12-3-4-15/h2,5-7,15H,3-4H2,1H3,(H,12,13,14)
InChIKeyNIFVEYXTNACXFJ-UHFFFAOYSA-N
XLogP1.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]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-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol (CID 116975040) is 2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol is Cc1ccsc1-c1cnc(NCCO)nc1.
What is the InChIKey of 2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is NIFVEYXTNACXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-2-5-16-10(8)9-6-13-11(14-7-9)12-3-4-15/h2,5-7,15H,3-4H2,1H3,(H,12,13,14).
What are the key properties of 2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol?
2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 235.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 116975040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).