2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol

C13H23N5O2 — CID 117082284

IUPAC2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C13H23N5O2/c1-11-10-12(14-3-7-19)17-13(16-11)15-2-4-18-5-8-20-9-6-18/h10,19H,2-9H2,1H3,(H2,14,15,16,17)
InChIKeyBLMYVIFJRIDIPX-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.07
Rot. Bonds7

About 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol

2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 117082284) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID117082284
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C13H23N5O2/c1-11-10-12(14-3-7-19)17-13(16-11)15-2-4-18-5-8-20-9-6-18/h10,19H,2-9H2,1H3,(H2,14,15,16,17)
InChIKeyBLMYVIFJRIDIPX-UHFFFAOYSA-N
XLogP-0.07
TPSA82.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol (CID 117082284) is 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol is Cc1cc(NCCO)nc(NCCN2CCOCC2)n1.
What is the InChIKey of 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is BLMYVIFJRIDIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-11-10-12(14-3-7-19)17-13(16-11)15-2-4-18-5-8-20-9-6-18/h10,19H,2-9H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol?
2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 281.36 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 117082284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).