1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one

C17H16Cl2N4OS — CID 57393125

IUPAC1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(N2CCSCC2)nc2n(Cc3cccc(Cl)c3Cl)ccn12
InChIInChI=1S/C17H16Cl2N4OS/c18-13-3-1-2-12(16(13)19)11-22-4-5-23-15(24)10-14(20-17(22)23)21-6-8-25-9-7-21/h1-5,10H,6-9,11H2
InChIKeyKVJAJXLSHRNNLR-UHFFFAOYSA-N
MW395.32 g/mol
LogP3.40
Rot. Bonds3

About 1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one

1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 57393125) has the molecular formula C17H16Cl2N4OS and a molecular weight of 395.32 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
PubChem CID57393125
Molecular FormulaC17H16Cl2N4OS
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(N2CCSCC2)nc2n(Cc3cccc(Cl)c3Cl)ccn12
InChIInChI=1S/C17H16Cl2N4OS/c18-13-3-1-2-12(16(13)19)11-22-4-5-23-15(24)10-14(20-17(22)23)21-6-8-25-9-7-21/h1-5,10H,6-9,11H2
InChIKeyKVJAJXLSHRNNLR-UHFFFAOYSA-N
XLogP3.40
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (CID 57393125) is 1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is O=c1cc(N2CCSCC2)nc2n(Cc3cccc(Cl)c3Cl)ccn12.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is KVJAJXLSHRNNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4OS/c18-13-3-1-2-12(16(13)19)11-22-4-5-23-15(24)10-14(20-17(22)23)21-6-8-25-9-7-21/h1-5,10H,6-9,11H2.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 395.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57393125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).