[2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol

C17H19FN2O2 — CID 118245389

IUPAC[2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol
SMILESOCc1cccc(-c2cnc(CC3CCOCC3)nc2)c1F
InChIInChI=1S/C17H19FN2O2/c18-17-13(11-21)2-1-3-15(17)14-9-19-16(20-10-14)8-12-4-6-22-7-5-12/h1-3,9-10,12,21H,4-8,11H2
InChIKeyXHBTXPHVBFUGOW-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.74
Rot. Bonds4

About [2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol

[2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol (PubChem CID 118245389) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is [2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol
PubChem CID118245389
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name[2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol
SMILESOCc1cccc(-c2cnc(CC3CCOCC3)nc2)c1F
InChIInChI=1S/C17H19FN2O2/c18-17-13(11-21)2-1-3-15(17)14-9-19-16(20-10-14)8-12-4-6-22-7-5-12/h1-3,9-10,12,21H,4-8,11H2
InChIKeyXHBTXPHVBFUGOW-UHFFFAOYSA-N
XLogP2.74
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol?
The IUPAC name of [2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol (CID 118245389) is [2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol?
The canonical SMILES for [2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol is OCc1cccc(-c2cnc(CC3CCOCC3)nc2)c1F.
What is the InChIKey of [2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol?
The InChIKey is XHBTXPHVBFUGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-17-13(11-21)2-1-3-15(17)14-9-19-16(20-10-14)8-12-4-6-22-7-5-12/h1-3,9-10,12,21H,4-8,11H2.
What are the key properties of [2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol?
[2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol has a molecular weight of 302.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]phenyl]methanol is sourced from PubChem (CID 118245389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).