2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol

C9H15N3O — CID 58662422

IUPAC2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol
SMILESCC(C)c1ncc(NCCO)cn1
InChIInChI=1S/C9H15N3O/c1-7(2)9-11-5-8(6-12-9)10-3-4-13/h5-7,10,13H,3-4H2,1-2H3
InChIKeyYOYQCHVRUQJBRK-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.00
Rot. Bonds4

About 2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol

2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol (PubChem CID 58662422) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol
PubChem CID58662422
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol
SMILESCC(C)c1ncc(NCCO)cn1
InChIInChI=1S/C9H15N3O/c1-7(2)9-11-5-8(6-12-9)10-3-4-13/h5-7,10,13H,3-4H2,1-2H3
InChIKeyYOYQCHVRUQJBRK-UHFFFAOYSA-N
XLogP1.00
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol?
The IUPAC name of 2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol (CID 58662422) is 2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol?
The canonical SMILES for 2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol is CC(C)c1ncc(NCCO)cn1.
What is the InChIKey of 2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol?
The InChIKey is YOYQCHVRUQJBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)9-11-5-8(6-12-9)10-3-4-13/h5-7,10,13H,3-4H2,1-2H3.
What are the key properties of 2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol?
2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol has a molecular weight of 181.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-ylpyrimidin-5-yl)amino]ethanol is sourced from PubChem (CID 58662422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).