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

C12H15N3O3 — CID 53214960

IUPAC2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CC2)nc1N1CCOCC1
InChIInChI=1S/C12H15N3O3/c16-12(17)9-7-13-10(8-1-2-8)14-11(9)15-3-5-18-6-4-15/h7-8H,1-6H2,(H,16,17)
InChIKeyKYEOWCQTIVWJMI-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.89
Rot. Bonds3

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

2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 53214960) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylic acid
PubChem CID53214960
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CC2)nc1N1CCOCC1
InChIInChI=1S/C12H15N3O3/c16-12(17)9-7-13-10(8-1-2-8)14-11(9)15-3-5-18-6-4-15/h7-8H,1-6H2,(H,16,17)
InChIKeyKYEOWCQTIVWJMI-UHFFFAOYSA-N
XLogP0.89
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylic acid (CID 53214960) is 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(C2CC2)nc1N1CCOCC1.
What is the InChIKey of 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is KYEOWCQTIVWJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-12(17)9-7-13-10(8-1-2-8)14-11(9)15-3-5-18-6-4-15/h7-8H,1-6H2,(H,16,17).
What are the key properties of 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylic acid?
2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 53214960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).