2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine

C14H14FN3O — CID 116901764

IUPAC2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine
SMILESFc1ccc(-c2ccnc(C3CNCCO3)n2)cc1
InChIInChI=1S/C14H14FN3O/c15-11-3-1-10(2-4-11)12-5-6-17-14(18-12)13-9-16-7-8-19-13/h1-6,13,16H,7-9H2
InChIKeyNPNIQKKFLIAKBW-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.94
Rot. Bonds2

About 2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine

2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine (PubChem CID 116901764) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine
PubChem CID116901764
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine
SMILESFc1ccc(-c2ccnc(C3CNCCO3)n2)cc1
InChIInChI=1S/C14H14FN3O/c15-11-3-1-10(2-4-11)12-5-6-17-14(18-12)13-9-16-7-8-19-13/h1-6,13,16H,7-9H2
InChIKeyNPNIQKKFLIAKBW-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpyrimidin-2-yl)morpholine
CID 116901757
2-(4-cyclohexylpyrimidin-2-yl)morpholine
CID 116901783
2-(2-methylpyrimidin-4-yl)morpholine
CID 66509815
2-pyridin-2-ylmorpholine
CID 19353403
(2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine
CID 71656716
2-[5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971821
5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine
CID 95804062
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971796
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 79720207
2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride
CID 154922035
(2R)-2-pyrimidin-4-ylmorpholine
CID 92615197
(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine (CID 116901764) is 2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine is Fc1ccc(-c2ccnc(C3CNCCO3)n2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine?
The InChIKey is NPNIQKKFLIAKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-11-3-1-10(2-4-11)12-5-6-17-14(18-12)13-9-16-7-8-19-13/h1-6,13,16H,7-9H2.
What are the key properties of 2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine?
2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine has a molecular weight of 259.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 116901764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).