ethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate

C14H19N3O3 — CID 134461558

IUPACethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CC2)nc1N1CCOCC1
InChIInChI=1S/C14H19N3O3/c1-2-20-14(18)11-9-15-12(10-3-4-10)16-13(11)17-5-7-19-8-6-17/h9-10H,2-8H2,1H3
InChIKeyXKJGTGURPJZVLR-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.37
Rot. Bonds4

About ethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate

ethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate (PubChem CID 134461558) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate
PubChem CID134461558
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CC2)nc1N1CCOCC1
InChIInChI=1S/C14H19N3O3/c1-2-20-14(18)11-9-15-12(10-3-4-10)16-13(11)17-5-7-19-8-6-17/h9-10H,2-8H2,1H3
InChIKeyXKJGTGURPJZVLR-UHFFFAOYSA-N
XLogP1.37
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate (CID 134461558) is ethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(C2CC2)nc1N1CCOCC1.
What is the InChIKey of ethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate?
The InChIKey is XKJGTGURPJZVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-20-14(18)11-9-15-12(10-3-4-10)16-13(11)17-5-7-19-8-6-17/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate?
ethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-4-morpholin-4-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 134461558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).