2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid

C15H14FN3O3 — CID 53214965

IUPAC2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(F)cc2)nc1N1CCOCC1
InChIInChI=1S/C15H14FN3O3/c16-11-3-1-10(2-4-11)13-17-9-12(15(20)21)14(18-13)19-5-7-22-8-6-19/h1-4,9H,5-8H2,(H,20,21)
InChIKeyMXKBUJUWBGZYFF-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.82
Rot. Bonds3

About 2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid

2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 53214965) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid
PubChem CID53214965
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(F)cc2)nc1N1CCOCC1
InChIInChI=1S/C15H14FN3O3/c16-11-3-1-10(2-4-11)13-17-9-12(15(20)21)14(18-13)19-5-7-22-8-6-19/h1-4,9H,5-8H2,(H,20,21)
InChIKeyMXKBUJUWBGZYFF-UHFFFAOYSA-N
XLogP1.82
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 42669991
2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42673835
2-(4-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669970
2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942
2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 82169279
N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 93138161
N-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 93138162
2-[[(4-fluorophenyl)methyl-methylsulfonylamino]methyl]-4-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 53214985
[2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 42822398
2-(4-ethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214932
2-[[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzoic acid
CID 154265658
4-(5-chloro-2-phenylpyrimidin-4-yl)morpholine
CID 121004493

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid (CID 53214965) is 2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccc(F)cc2)nc1N1CCOCC1.
What is the InChIKey of 2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is MXKBUJUWBGZYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-11-3-1-10(2-4-11)13-17-9-12(15(20)21)14(18-13)19-5-7-22-8-6-19/h1-4,9H,5-8H2,(H,20,21).
What are the key properties of 2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid?
2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid has a molecular weight of 303.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 53214965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).