2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol

C12H18FN3O2 — CID 84598943

IUPAC2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol
SMILESCCc1ncnc(N2CCOCC2CCO)c1F
InChIInChI=1S/C12H18FN3O2/c1-2-10-11(13)12(15-8-14-10)16-4-6-18-7-9(16)3-5-17/h8-9,17H,2-7H2,1H3
InChIKeyAYYLVHATZYPTRO-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.77
Rot. Bonds4

About 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol

2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol (PubChem CID 84598943) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol
PubChem CID84598943
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol
SMILESCCc1ncnc(N2CCOCC2CCO)c1F
InChIInChI=1S/C12H18FN3O2/c1-2-10-11(13)12(15-8-14-10)16-4-6-18-7-9(16)3-5-17/h8-9,17H,2-7H2,1H3
InChIKeyAYYLVHATZYPTRO-UHFFFAOYSA-N
XLogP0.77
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol?
The IUPAC name of 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol (CID 84598943) is 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol.
What is the SMILES notation for 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol?
The canonical SMILES for 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol is CCc1ncnc(N2CCOCC2CCO)c1F.
What is the InChIKey of 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol?
The InChIKey is AYYLVHATZYPTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-2-10-11(13)12(15-8-14-10)16-4-6-18-7-9(16)3-5-17/h8-9,17H,2-7H2,1H3.
What are the key properties of 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol?
2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol has a molecular weight of 255.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol is sourced from PubChem (CID 84598943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).