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

C9H11N3O3 — CID 28905958

IUPAC4-morpholin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1N1CCOCC1
InChIInChI=1S/C9H11N3O3/c13-9(14)7-5-10-6-11-8(7)12-1-3-15-4-2-12/h5-6H,1-4H2,(H,13,14)
InChIKeyRTXVOVBOCYAMKF-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.01
Rot. Bonds2

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

4-morpholin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 28905958) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-morpholin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-morpholin-4-ylpyrimidine-5-carboxylic acid
PubChem CID28905958
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name4-morpholin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1N1CCOCC1
InChIInChI=1S/C9H11N3O3/c13-9(14)7-5-10-6-11-8(7)12-1-3-15-4-2-12/h5-6H,1-4H2,(H,13,14)
InChIKeyRTXVOVBOCYAMKF-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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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-morpholin-4-ylpyrimidine-5-carboxylic acid (CID 28905958) is 4-morpholin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-morpholin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-morpholin-4-ylpyrimidine-5-carboxylic acid is O=C(O)c1cncnc1N1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is RTXVOVBOCYAMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-9(14)7-5-10-6-11-8(7)12-1-3-15-4-2-12/h5-6H,1-4H2,(H,13,14).
What are the key properties of 4-morpholin-4-ylpyrimidine-5-carboxylic acid?
4-morpholin-4-ylpyrimidine-5-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 4-morpholin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 28905958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).