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

C17H17ClN4O2 — CID 57398390

IUPAC1-[(4-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(N2CCOCC2)nc2n(Cc3ccc(Cl)cc3)ccn12
InChIInChI=1S/C17H17ClN4O2/c18-14-3-1-13(2-4-14)12-21-5-6-22-16(23)11-15(19-17(21)22)20-7-9-24-10-8-20/h1-6,11H,7-10,12H2
InChIKeyBOILDBASEKUBPD-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.03
Rot. Bonds3

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

1-[(4-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 57398390) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
PubChem CID57398390
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name1-[(4-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(N2CCOCC2)nc2n(Cc3ccc(Cl)cc3)ccn12
InChIInChI=1S/C17H17ClN4O2/c18-14-3-1-13(2-4-14)12-21-5-6-22-16(23)11-15(19-17(21)22)20-7-9-24-10-8-20/h1-6,11H,7-10,12H2
InChIKeyBOILDBASEKUBPD-UHFFFAOYSA-N
XLogP2.03
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 69035466
9-[(4-methylphenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 23586726
4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine
CID 11861877
N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365353
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935378
5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one
CID 137347513
1-[(4-chlorophenyl)methyl]-4-(5-morpholin-4-yl-1-sulfanylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 145311929
2-morpholin-4-yl-9-(pyridin-4-ylmethoxy)pyrido[1,2-a]pyrimidin-4-one
CID 23586755
2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide
CID 3039012
2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 137130492
2-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)ethanamine
CID 83852725
N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
CID 122179714

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (CID 57398390) is 1-[(4-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is O=c1cc(N2CCOCC2)nc2n(Cc3ccc(Cl)cc3)ccn12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is BOILDBASEKUBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-14-3-1-13(2-4-14)12-21-5-6-22-16(23)11-15(19-17(21)22)20-7-9-24-10-8-20/h1-6,11H,7-10,12H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
1-[(4-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 344.80 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57398390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).