[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol

C11H16FN3O2 — CID 122562011

IUPAC[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol
SMILESOCC1(CNc2ncc(F)cn2)CCOCC1
InChIInChI=1S/C11H16FN3O2/c12-9-5-13-10(14-6-9)15-7-11(8-16)1-3-17-4-2-11/h5-6,16H,1-4,7-8H2,(H,13,14,15)
InChIKeyDFEDQJUQXDWHFW-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.82
Rot. Bonds4

About [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol

[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol (PubChem CID 122562011) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol
PubChem CID122562011
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol
SMILESOCC1(CNc2ncc(F)cn2)CCOCC1
InChIInChI=1S/C11H16FN3O2/c12-9-5-13-10(14-6-9)15-7-11(8-16)1-3-17-4-2-11/h5-6,16H,1-4,7-8H2,(H,13,14,15)
InChIKeyDFEDQJUQXDWHFW-UHFFFAOYSA-N
XLogP0.82
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol (CID 122562011) is [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol is OCC1(CNc2ncc(F)cn2)CCOCC1.
What is the InChIKey of [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol?
The InChIKey is DFEDQJUQXDWHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c12-9-5-13-10(14-6-9)15-7-11(8-16)1-3-17-4-2-11/h5-6,16H,1-4,7-8H2,(H,13,14,15).
What are the key properties of [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol?
[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol has a molecular weight of 241.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 122562011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).