2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

C12H21N3O2 — CID 126848676

IUPAC2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCCC(C)c1cc(N(CCO)CCO)ncn1
InChIInChI=1S/C12H21N3O2/c1-3-10(2)11-8-12(14-9-13-11)15(4-6-16)5-7-17/h8-10,16-17H,3-7H2,1-2H3
InChIKeyJXUDVEIBSDXUHN-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.78
Rot. Bonds7

About 2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 126848676) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID126848676
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCCC(C)c1cc(N(CCO)CCO)ncn1
InChIInChI=1S/C12H21N3O2/c1-3-10(2)11-8-12(14-9-13-11)15(4-6-16)5-7-17/h8-10,16-17H,3-7H2,1-2H3
InChIKeyJXUDVEIBSDXUHN-UHFFFAOYSA-N
XLogP0.78
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (CID 126848676) is 2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is CCC(C)c1cc(N(CCO)CCO)ncn1.
What is the InChIKey of 2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is JXUDVEIBSDXUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-10(2)11-8-12(14-9-13-11)15(4-6-16)5-7-17/h8-10,16-17H,3-7H2,1-2H3.
What are the key properties of 2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 239.32 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 126848676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).