ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate

C19H23N3O3 — CID 2767637

IUPACethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1N1CC(C)OC(C)C1
InChIInChI=1S/C19H23N3O3/c1-4-24-19(23)16-10-20-17(15-8-6-5-7-9-15)21-18(16)22-11-13(2)25-14(3)12-22/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyBYZAVVSMYAMVHE-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.93
Rot. Bonds4

About ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate

ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate (PubChem CID 2767637) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate
PubChem CID2767637
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1N1CC(C)OC(C)C1
InChIInChI=1S/C19H23N3O3/c1-4-24-19(23)16-10-20-17(15-8-6-5-7-9-15)21-18(16)22-11-13(2)25-14(3)12-22/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyBYZAVVSMYAMVHE-UHFFFAOYSA-N
XLogP2.93
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate (CID 2767637) is ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2)nc1N1CC(C)OC(C)C1.
What is the InChIKey of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate?
The InChIKey is BYZAVVSMYAMVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-24-19(23)16-10-20-17(15-8-6-5-7-9-15)21-18(16)22-11-13(2)25-14(3)12-22/h5-10,13-14H,4,11-12H2,1-3H3.
What are the key properties of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate?
ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 2767637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).