1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one

C18H20N4O2 — CID 57398391

IUPAC1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1ccccc1Cn1ccn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C18H20N4O2/c1-14-4-2-3-5-15(14)13-21-6-7-22-17(23)12-16(19-18(21)22)20-8-10-24-11-9-20/h2-7,12H,8-11,13H2,1H3
InChIKeyNIKZHXWCQGUKKR-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.69
Rot. Bonds3

About 1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one

1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 57398391) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
PubChem CID57398391
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1ccccc1Cn1ccn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C18H20N4O2/c1-14-4-2-3-5-15(14)13-21-6-7-22-17(23)12-16(19-18(21)22)20-8-10-24-11-9-20/h2-7,12H,8-11,13H2,1H3
InChIKeyNIKZHXWCQGUKKR-UHFFFAOYSA-N
XLogP1.69
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Morpholin-4-ylpyrimido(2,1-A)isoquinolin-4-one
CID 10039361
2-morpholinobenzo[h]quinolin-4(1H)-one
CID 25817490
2-Methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 57345686
7-[(2R)-2-methylmorpholin-4-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrimidin-5-one
CID 57403581
2-Methyl-5-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 60150509
2-Methylsulfanyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70685442
2-Methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70689639
7-Morpholino-1-(naphthalen-1-ylmethyl)imidazo[1,2-a]pyrimidin-5(1H)-one
CID 57396625
1-[(3-Methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 57398392
7-Methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 11428504
1-[(4-Fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 57391362
1-[(2-Chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 57391363

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (CID 57398391) is 1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is Cc1ccccc1Cn1ccn2c(=O)cc(N3CCOCC3)nc12.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is NIKZHXWCQGUKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-14-4-2-3-5-15(14)13-21-6-7-22-17(23)12-16(19-18(21)22)20-8-10-24-11-9-20/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 324.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57398391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).