2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate

C13H21N3O3 — CID 174793793

IUPAC2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate
SMILESCCOC(C)=O.OCCNc1cc(C2CC2)ncn1
InChIInChI=1S/C9H13N3O.C4H8O2/c13-4-3-10-9-5-8(7-1-2-7)11-6-12-9;1-3-6-4(2)5/h5-7,13H,1-4H2,(H,10,11,12);3H2,1-2H3
InChIKeyYXKJHERYYRRSNO-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.33
Rot. Bonds5

About 2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate

2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate (PubChem CID 174793793) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate.

Molecular Properties

Compound Name2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate
PubChem CID174793793
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate
SMILESCCOC(C)=O.OCCNc1cc(C2CC2)ncn1
InChIInChI=1S/C9H13N3O.C4H8O2/c13-4-3-10-9-5-8(7-1-2-7)11-6-12-9;1-3-6-4(2)5/h5-7,13H,1-4H2,(H,10,11,12);3H2,1-2H3
InChIKeyYXKJHERYYRRSNO-UHFFFAOYSA-N
XLogP1.33
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate?
The IUPAC name of 2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate (CID 174793793) is 2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate.
What is the SMILES notation for 2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate?
The canonical SMILES for 2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate is CCOC(C)=O.OCCNc1cc(C2CC2)ncn1.
What is the InChIKey of 2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate?
The InChIKey is YXKJHERYYRRSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.C4H8O2/c13-4-3-10-9-5-8(7-1-2-7)11-6-12-9;1-3-6-4(2)5/h5-7,13H,1-4H2,(H,10,11,12);3H2,1-2H3.
What are the key properties of 2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate?
2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate has a molecular weight of 267.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate is sourced from PubChem (CID 174793793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).