ethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate

C18H23N3O4 — CID 165153078

IUPACethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)[C@H](C)c2ccccc2)n(C)c(=O)c1OC
InChIInChI=1S/C18H23N3O4/c1-6-25-17(23)14-15(24-5)16(22)21(4)18(19-14)20(3)12(2)13-10-8-7-9-11-13/h7-12H,6H2,1-5H3/t12-/m1/s1
InChIKeyMLRWSKVCTGYYAO-GFCCVEGCSA-N
MW345.40 g/mol
LogP2.16
Rot. Bonds6

About ethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate

ethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate (PubChem CID 165153078) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate
PubChem CID165153078
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Nameethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)[C@H](C)c2ccccc2)n(C)c(=O)c1OC
InChIInChI=1S/C18H23N3O4/c1-6-25-17(23)14-15(24-5)16(22)21(4)18(19-14)20(3)12(2)13-10-8-7-9-11-13/h7-12H,6H2,1-5H3/t12-/m1/s1
InChIKeyMLRWSKVCTGYYAO-GFCCVEGCSA-N
XLogP2.16
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate?
The IUPAC name of ethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate (CID 165153078) is ethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate?
The canonical SMILES for ethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate is CCOC(=O)c1nc(N(C)[C@H](C)c2ccccc2)n(C)c(=O)c1OC.
What is the InChIKey of ethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate?
The InChIKey is MLRWSKVCTGYYAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-6-25-17(23)14-15(24-5)16(22)21(4)18(19-14)20(3)12(2)13-10-8-7-9-11-13/h7-12H,6H2,1-5H3/t12-/m1/s1.
What are the key properties of ethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate?
ethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate is sourced from PubChem (CID 165153078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).