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

C12H17N3O3 — CID 12662938

IUPACethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCOCC2)nc1C
InChIInChI=1S/C12H17N3O3/c1-3-18-11(16)10-8-13-12(14-9(10)2)15-4-6-17-7-5-15/h8H,3-7H2,1-2H3
InChIKeyRXGOAHHHDBIXSA-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.80
Rot. Bonds3

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

ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate (PubChem CID 12662938) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
PubChem CID12662938
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCOCC2)nc1C
InChIInChI=1S/C12H17N3O3/c1-3-18-11(16)10-8-13-12(14-9(10)2)15-4-6-17-7-5-15/h8H,3-7H2,1-2H3
InChIKeyRXGOAHHHDBIXSA-UHFFFAOYSA-N
XLogP0.80
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-methyl-2-thiomorpholin-4-ylpyrimidine-5-carboxylate
CID 46397674
2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate
CID 154109144
ethyl 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 46739184
ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate
CID 75400034
pentyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate
CID 154138667
ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
CID 17121387
azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959621
ethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate
CID 83180970
ethyl 2-(azepan-1-yl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 102973232
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
ethyl 4-(difluoromethyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 102973247

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate (CID 12662938) is ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(N2CCOCC2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate?
The InChIKey is RXGOAHHHDBIXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-18-11(16)10-8-13-12(14-9(10)2)15-4-6-17-7-5-15/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate?
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.80, 3 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-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 12662938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).