(3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride

C15H17ClFN3O — CID 118117299

IUPAC(3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride
SMILESCl.Fc1ccc(-c2ncccn2)cc1C[C@@H]1COCCN1
InChIInChI=1S/C15H16FN3O.ClH/c16-14-3-2-11(15-18-4-1-5-19-15)8-12(14)9-13-10-20-7-6-17-13;/h1-5,8,13,17H,6-7,9-10H2;1H/t13-;/m1./s1
InChIKeyLPQFBTXUYYZFFE-BTQNPOSSSA-N
MW309.77 g/mol
LogP2.24
Rot. Bonds3

About (3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride

(3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride (PubChem CID 118117299) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is (3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride
PubChem CID118117299
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name(3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride
SMILESCl.Fc1ccc(-c2ncccn2)cc1C[C@@H]1COCCN1
InChIInChI=1S/C15H16FN3O.ClH/c16-14-3-2-11(15-18-4-1-5-19-15)8-12(14)9-13-10-20-7-6-17-13;/h1-5,8,13,17H,6-7,9-10H2;1H/t13-;/m1./s1
InChIKeyLPQFBTXUYYZFFE-BTQNPOSSSA-N
XLogP2.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride?
The IUPAC name of (3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride (CID 118117299) is (3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride.
What is the SMILES notation for (3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride?
The canonical SMILES for (3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride is Cl.Fc1ccc(-c2ncccn2)cc1C[C@@H]1COCCN1.
What is the InChIKey of (3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride?
The InChIKey is LPQFBTXUYYZFFE-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H16FN3O.ClH/c16-14-3-2-11(15-18-4-1-5-19-15)8-12(14)9-13-10-20-7-6-17-13;/h1-5,8,13,17H,6-7,9-10H2;1H/t13-;/m1./s1.
What are the key properties of (3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride?
(3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride has a molecular weight of 309.77 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride is sourced from PubChem (CID 118117299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).