5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid

C9H10ClN3O3 — CID 2324915

IUPAC5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(N2CCOCC2)ncc1Cl
InChIInChI=1S/C9H10ClN3O3/c10-6-5-11-9(12-7(6)8(14)15)13-1-3-16-4-2-13/h5H,1-4H2,(H,14,15)
InChIKeyCOKXEMMIPVQCNB-UHFFFAOYSA-N
MW243.65 g/mol
LogP0.66
Rot. Bonds2

About 5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid

5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid (PubChem CID 2324915) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is 5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid
PubChem CID2324915
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC Name5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(N2CCOCC2)ncc1Cl
InChIInChI=1S/C9H10ClN3O3/c10-6-5-11-9(12-7(6)8(14)15)13-1-3-16-4-2-13/h5H,1-4H2,(H,14,15)
InChIKeyCOKXEMMIPVQCNB-UHFFFAOYSA-N
XLogP0.66
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid (CID 2324915) is 5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid is O=C(O)c1nc(N2CCOCC2)ncc1Cl.
What is the InChIKey of 5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid?
The InChIKey is COKXEMMIPVQCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c10-6-5-11-9(12-7(6)8(14)15)13-1-3-16-4-2-13/h5H,1-4H2,(H,14,15).
What are the key properties of 5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid?
5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid has a molecular weight of 243.65 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 2324915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).