ethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate

C17H19N3O3 — CID 796077

IUPACethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C17H19N3O3/c1-2-23-17(21)14-12-18-15(13-6-4-3-5-7-13)19-16(14)20-8-10-22-11-9-20/h3-7,12H,2,8-11H2,1H3
InChIKeyYNUPPPURCOXJAZ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.16
Rot. Bonds4

About ethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate

ethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate (PubChem CID 796077) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is ethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate
PubChem CID796077
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Nameethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C17H19N3O3/c1-2-23-17(21)14-12-18-15(13-6-4-3-5-7-13)19-16(14)20-8-10-22-11-9-20/h3-7,12H,2,8-11H2,1H3
InChIKeyYNUPPPURCOXJAZ-UHFFFAOYSA-N
XLogP2.16
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate (CID 796077) is ethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2)nc1N1CCOCC1.
What is the InChIKey of ethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate?
The InChIKey is YNUPPPURCOXJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-23-17(21)14-12-18-15(13-6-4-3-5-7-13)19-16(14)20-8-10-22-11-9-20/h3-7,12H,2,8-11H2,1H3.
What are the key properties of ethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate?
ethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 796077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).