ethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate

C18H21N3O3 — CID 53306251

IUPACethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-3-24-17(22)15-13(2)19-18(21-9-11-23-12-10-21)20-16(15)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3
InChIKeySSRCKMAICVNILM-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.47
Rot. Bonds4

About ethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate

ethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate (PubChem CID 53306251) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate
PubChem CID53306251
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Nameethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-3-24-17(22)15-13(2)19-18(21-9-11-23-12-10-21)20-16(15)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3
InChIKeySSRCKMAICVNILM-UHFFFAOYSA-N
XLogP2.47
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate (CID 53306251) is ethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(N2CCOCC2)nc1-c1ccccc1.
What is the InChIKey of ethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate?
The InChIKey is SSRCKMAICVNILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-24-17(22)15-13(2)19-18(21-9-11-23-12-10-21)20-16(15)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate?
ethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 53306251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).