5-morpholin-4-ylpyrimidine-4-carboxylic acid

C9H11N3O3 — CID 91557117

IUPAC5-morpholin-4-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1ncncc1N1CCOCC1
InChIInChI=1S/C9H11N3O3/c13-9(14)8-7(5-10-6-11-8)12-1-3-15-4-2-12/h5-6H,1-4H2,(H,13,14)
InChIKeyRZYBKJCICZTVEM-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.01
Rot. Bonds2

About 5-morpholin-4-ylpyrimidine-4-carboxylic acid

5-morpholin-4-ylpyrimidine-4-carboxylic acid (PubChem CID 91557117) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-morpholin-4-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-morpholin-4-ylpyrimidine-4-carboxylic acid
PubChem CID91557117
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name5-morpholin-4-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1ncncc1N1CCOCC1
InChIInChI=1S/C9H11N3O3/c13-9(14)8-7(5-10-6-11-8)12-1-3-15-4-2-12/h5-6H,1-4H2,(H,13,14)
InChIKeyRZYBKJCICZTVEM-UHFFFAOYSA-N
XLogP0.01
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid
CID 2363719
morpholin-4-yl-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165660
4-(4-pyridin-2-ylpyrimidin-5-yl)morpholine
CID 173446688
5-bromopyrimidine-4-carboxylic acid
CID 21329200
(4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165758
ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid
CID 170730921
5-chloro-3-morpholin-4-ylpyridine-2-carboxamide
CID 166656624
N-(4-methylsulfanylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165812
1-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 83882794
4-morpholin-4-ylpyridine-2,5-dicarboxamide
CID 155353746
3-hydroxy-6-morpholin-4-yl-4-piperidin-1-ylpyridine-2-carboxylic acid
CID 69460728
morpholin-4-yl-[(2R)-4-pyrimidin-5-ylmorpholin-2-yl]methanone
CID 95841040

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-morpholin-4-ylpyrimidine-4-carboxylic acid (CID 91557117) is 5-morpholin-4-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-morpholin-4-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-morpholin-4-ylpyrimidine-4-carboxylic acid is O=C(O)c1ncncc1N1CCOCC1.
What is the InChIKey of 5-morpholin-4-ylpyrimidine-4-carboxylic acid?
The InChIKey is RZYBKJCICZTVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-9(14)8-7(5-10-6-11-8)12-1-3-15-4-2-12/h5-6H,1-4H2,(H,13,14).
What are the key properties of 5-morpholin-4-ylpyrimidine-4-carboxylic acid?
5-morpholin-4-ylpyrimidine-4-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 91557117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).