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

C14H23FN4O2 — CID 114782696

IUPAC[4-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCCNc1ncc(F)c(N2CC(CO)OC(C)(C)C2)n1
InChIInChI=1S/C14H23FN4O2/c1-4-5-16-13-17-6-11(15)12(18-13)19-7-10(8-20)21-14(2,3)9-19/h6,10,20H,4-5,7-9H2,1-3H3,(H,16,17,18)
InChIKeyQXFZUXJAWPWFMZ-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.41
Rot. Bonds5

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

[4-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114782696) has the molecular formula C14H23FN4O2 and a molecular weight of 298.36 g/mol. Its IUPAC name is [4-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114782696
Molecular FormulaC14H23FN4O2
Molecular Weight298.36 g/mol
Exact Mass298.18
IUPAC Name[4-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCCNc1ncc(F)c(N2CC(CO)OC(C)(C)C2)n1
InChIInChI=1S/C14H23FN4O2/c1-4-5-16-13-17-6-11(15)12(18-13)19-7-10(8-20)21-14(2,3)9-19/h6,10,20H,4-5,7-9H2,1-3H3,(H,16,17,18)
InChIKeyQXFZUXJAWPWFMZ-UHFFFAOYSA-N
XLogP1.41
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.41
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-(propylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114782696) is [4-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol is CCCNc1ncc(F)c(N2CC(CO)OC(C)(C)C2)n1.
What is the InChIKey of [4-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is QXFZUXJAWPWFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O2/c1-4-5-16-13-17-6-11(15)12(18-13)19-7-10(8-20)21-14(2,3)9-19/h6,10,20H,4-5,7-9H2,1-3H3,(H,16,17,18).
What are the key properties of [4-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 298.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114782696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).