[4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol

C13H21FN4O2 — CID 114782728

IUPAC[4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCNc1ncc(F)c(N2CC(CO)OC(C)(C)C2)n1
InChIInChI=1S/C13H21FN4O2/c1-4-15-12-16-5-10(14)11(17-12)18-6-9(7-19)20-13(2,3)8-18/h5,9,19H,4,6-8H2,1-3H3,(H,15,16,17)
InChIKeyIWNNVCYTGLLUPI-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.02
Rot. Bonds4

About [4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114782728) has the molecular formula C13H21FN4O2 and a molecular weight of 284.34 g/mol. Its IUPAC name is [4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114782728
Molecular FormulaC13H21FN4O2
Molecular Weight284.34 g/mol
Exact Mass284.16
IUPAC Name[4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCNc1ncc(F)c(N2CC(CO)OC(C)(C)C2)n1
InChIInChI=1S/C13H21FN4O2/c1-4-15-12-16-5-10(14)11(17-12)18-6-9(7-19)20-13(2,3)8-18/h5,9,19H,4,6-8H2,1-3H3,(H,15,16,17)
InChIKeyIWNNVCYTGLLUPI-UHFFFAOYSA-N
XLogP1.02
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114782728) is [4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol is CCNc1ncc(F)c(N2CC(CO)OC(C)(C)C2)n1.
What is the InChIKey of [4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is IWNNVCYTGLLUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O2/c1-4-15-12-16-5-10(14)11(17-12)18-6-9(7-19)20-13(2,3)8-18/h5,9,19H,4,6-8H2,1-3H3,(H,15,16,17).
What are the key properties of [4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 284.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114782728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).