2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone

C17H23N3O4 — CID 82240436

IUPAC2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
SMILESCOc1cc(C2=NCCCN2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C17H23N3O4/c1-22-15-11-13(17-18-5-2-6-19-17)3-4-14(15)24-12-16(21)20-7-9-23-10-8-20/h3-4,11H,2,5-10,12H2,1H3,(H,18,19)
InChIKeyIZHAYPPDGGZWKA-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.67
Rot. Bonds5

About 2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone

2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone (PubChem CID 82240436) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
PubChem CID82240436
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
SMILESCOc1cc(C2=NCCCN2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C17H23N3O4/c1-22-15-11-13(17-18-5-2-6-19-17)3-4-14(15)24-12-16(21)20-7-9-23-10-8-20/h3-4,11H,2,5-10,12H2,1H3,(H,18,19)
InChIKeyIZHAYPPDGGZWKA-UHFFFAOYSA-N
XLogP0.67
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82243218
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
1-morpholin-4-yl-2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]oxy]ethanone
CID 82252518
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
2-[2-methoxy-4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]-1-morpholin-4-ylethanone
CID 154823819
2-[2-methoxy-4-[(3-pyridin-2-ylazetidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131905909
5-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 4906451
2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131938428
[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea
CID 169358575
2-[4-[(iodomethylamino)methyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 126537590
[2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate
CID 90726135

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone (CID 82240436) is 2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone is COc1cc(C2=NCCCN2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is IZHAYPPDGGZWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-22-15-11-13(17-18-5-2-6-19-17)3-4-14(15)24-12-16(21)20-7-9-23-10-8-20/h3-4,11H,2,5-10,12H2,1H3,(H,18,19).
What are the key properties of 2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 333.39 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 82240436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).