3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine

C14H14FN3O — CID 116901814

IUPAC3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine
SMILESFc1cccc(-c2ccnc(C3COCCN3)n2)c1
InChIInChI=1S/C14H14FN3O/c15-11-3-1-2-10(8-11)12-4-5-17-14(18-12)13-9-19-7-6-16-13/h1-5,8,13,16H,6-7,9H2
InChIKeyYLWIVVNLQNXJFY-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.94
Rot. Bonds2

About 3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine

3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine (PubChem CID 116901814) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine
PubChem CID116901814
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine
SMILESFc1cccc(-c2ccnc(C3COCCN3)n2)c1
InChIInChI=1S/C14H14FN3O/c15-11-3-1-2-10(8-11)12-4-5-17-14(18-12)13-9-19-7-6-16-13/h1-5,8,13,16H,6-7,9H2
InChIKeyYLWIVVNLQNXJFY-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

3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine
CID 116901807
3-(6-fluoro-2-pyridinyl)morpholine
CID 55282502
2-morpholin-3-yl-N-(oxan-4-yl)pyrimidin-4-amine
CID 131639803
N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine
CID 97484647
3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 75475174
4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116898794
3-pyridin-2-ylmorpholine
CID 54247101
3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine
CID 116881165
N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride
CID 155856046
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
3-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971459
4-(3-fluorophenyl)pyrimidine-2-carbaldehyde
CID 116900284

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine (CID 116901814) is 3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine is Fc1cccc(-c2ccnc(C3COCCN3)n2)c1.
What is the InChIKey of 3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine?
The InChIKey is YLWIVVNLQNXJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-11-3-1-2-10(8-11)12-4-5-17-14(18-12)13-9-19-7-6-16-13/h1-5,8,13,16H,6-7,9H2.
What are the key properties of 3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine?
3-[4-(3-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 3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 116901814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).