4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid

C16H15N3O4 — CID 122146528

IUPAC4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H15N3O4/c20-15(19-6-7-23-10-13(19)16(21)22)12-8-17-14(18-9-12)11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10H2,(H,21,22)
InChIKeyWUNLMWZCKNYRJY-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.07
Rot. Bonds3

About 4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid

4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid (PubChem CID 122146528) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
PubChem CID122146528
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H15N3O4/c20-15(19-6-7-23-10-13(19)16(21)22)12-8-17-14(18-9-12)11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10H2,(H,21,22)
InChIKeyWUNLMWZCKNYRJY-UHFFFAOYSA-N
XLogP1.07
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 66462467
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid
CID 119215842
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 119215888
(3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125150119
(3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid
CID 125118869
(3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid
CID 125133440
(3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125119525
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125153686
(3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125152338

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid (CID 122146528) is 4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of 4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is WUNLMWZCKNYRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-15(19-6-7-23-10-13(19)16(21)22)12-8-17-14(18-9-12)11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10H2,(H,21,22).
What are the key properties of 4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid?
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 313.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 122146528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).