[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol

C12H19FN4O2 — CID 114782658

IUPAC[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCNc1ncc(F)c(N2CC(CO)OC(C)(C)C2)n1
InChIInChI=1S/C12H19FN4O2/c1-12(2)7-17(5-8(6-18)19-12)10-9(13)4-15-11(14-3)16-10/h4,8,18H,5-7H2,1-3H3,(H,14,15,16)
InChIKeyAUNJIZXQOCQBCM-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.63
Rot. Bonds3

About [4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114782658) has the molecular formula C12H19FN4O2 and a molecular weight of 270.31 g/mol. Its IUPAC name is [4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114782658
Molecular FormulaC12H19FN4O2
Molecular Weight270.31 g/mol
Exact Mass270.15
IUPAC Name[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCNc1ncc(F)c(N2CC(CO)OC(C)(C)C2)n1
InChIInChI=1S/C12H19FN4O2/c1-12(2)7-17(5-8(6-18)19-12)10-9(13)4-15-11(14-3)16-10/h4,8,18H,5-7H2,1-3H3,(H,14,15,16)
InChIKeyAUNJIZXQOCQBCM-UHFFFAOYSA-N
XLogP0.63
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114782658) is [4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol is CNc1ncc(F)c(N2CC(CO)OC(C)(C)C2)n1.
What is the InChIKey of [4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is AUNJIZXQOCQBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O2/c1-12(2)7-17(5-8(6-18)19-12)10-9(13)4-15-11(14-3)16-10/h4,8,18H,5-7H2,1-3H3,(H,14,15,16).
What are the key properties of [4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 270.31 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114782658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).