3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol

C14H14FN3O2 — CID 97069431

IUPAC3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol
SMILESOc1cccc([C@@H]2CN(c3ncc(F)cn3)CCO2)c1
InChIInChI=1S/C14H14FN3O2/c15-11-7-16-14(17-8-11)18-4-5-20-13(9-18)10-2-1-3-12(19)6-10/h1-3,6-8,13,19H,4-5,9H2/t13-/m0/s1
InChIKeyVQHNIKJKVWEJIX-ZDUSSCGKSA-N
MW275.28 g/mol
LogP1.90
Rot. Bonds2

About 3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol

3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol (PubChem CID 97069431) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol.

Molecular Properties

Compound Name3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol
PubChem CID97069431
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol
SMILESOc1cccc([C@@H]2CN(c3ncc(F)cn3)CCO2)c1
InChIInChI=1S/C14H14FN3O2/c15-11-7-16-14(17-8-11)18-4-5-20-13(9-18)10-2-1-3-12(19)6-10/h1-3,6-8,13,19H,4-5,9H2/t13-/m0/s1
InChIKeyVQHNIKJKVWEJIX-ZDUSSCGKSA-N
XLogP1.90
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol?
The IUPAC name of 3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol (CID 97069431) is 3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol.
What is the SMILES notation for 3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol?
The canonical SMILES for 3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol is Oc1cccc([C@@H]2CN(c3ncc(F)cn3)CCO2)c1.
What is the InChIKey of 3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol?
The InChIKey is VQHNIKJKVWEJIX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-11-7-16-14(17-8-11)18-4-5-20-13(9-18)10-2-1-3-12(19)6-10/h1-3,6-8,13,19H,4-5,9H2/t13-/m0/s1.
What are the key properties of 3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol?
3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol has a molecular weight of 275.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol is sourced from PubChem (CID 97069431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).