2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide

C20H26N4O4 — CID 91903984

IUPAC2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCc1cc(=O)n(CC(=O)NCc2cccc(OC)c2)c(N2CCOCC2)n1
InChIInChI=1S/C20H26N4O4/c1-3-16-12-19(26)24(20(22-16)23-7-9-28-10-8-23)14-18(25)21-13-15-5-4-6-17(11-15)27-2/h4-6,11-12H,3,7-10,13-14H2,1-2H3,(H,21,25)
InChIKeyLDVIKBKCLJUOII-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.97
Rot. Bonds7

About 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide

2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 91903984) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID91903984
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCc1cc(=O)n(CC(=O)NCc2cccc(OC)c2)c(N2CCOCC2)n1
InChIInChI=1S/C20H26N4O4/c1-3-16-12-19(26)24(20(22-16)23-7-9-28-10-8-23)14-18(25)21-13-15-5-4-6-17(11-15)27-2/h4-6,11-12H,3,7-10,13-14H2,1-2H3,(H,21,25)
InChIKeyLDVIKBKCLJUOII-UHFFFAOYSA-N
XLogP0.97
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide (CID 91903984) is 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide is CCc1cc(=O)n(CC(=O)NCc2cccc(OC)c2)c(N2CCOCC2)n1.
What is the InChIKey of 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is LDVIKBKCLJUOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-3-16-12-19(26)24(20(22-16)23-7-9-28-10-8-23)14-18(25)21-13-15-5-4-6-17(11-15)27-2/h4-6,11-12H,3,7-10,13-14H2,1-2H3,(H,21,25).
What are the key properties of 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 386.45 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 91903984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).