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

C19H20Cl2N4O2 — CID 57401869

IUPAC1-[(2,3-dichlorophenyl)methyl]-2,3-dimethyl-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1c(C)n2c(=O)cc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N4O2/c1-12-13(2)25-17(26)10-16(23-6-8-27-9-7-23)22-19(25)24(12)11-14-4-3-5-15(20)18(14)21/h3-5,10H,6-9,11H2,1-2H3
InChIKeyDCNAOEZNPKEETM-UHFFFAOYSA-N
MW407.30 g/mol
LogP3.30
Rot. Bonds3

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

1-[(2,3-dichlorophenyl)methyl]-2,3-dimethyl-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 57401869) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-2,3-dimethyl-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-2,3-dimethyl-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
PubChem CID57401869
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-2,3-dimethyl-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1c(C)n2c(=O)cc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N4O2/c1-12-13(2)25-17(26)10-16(23-6-8-27-9-7-23)22-19(25)24(12)11-14-4-3-5-15(20)18(14)21/h3-5,10H,6-9,11H2,1-2H3
InChIKeyDCNAOEZNPKEETM-UHFFFAOYSA-N
XLogP3.30
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.30
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]-2,3-dimethyl-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-2,3-dimethyl-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (CID 57401869) is 1-[(2,3-dichlorophenyl)methyl]-2,3-dimethyl-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-2,3-dimethyl-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-2,3-dimethyl-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is Cc1c(C)n2c(=O)cc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-2,3-dimethyl-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is DCNAOEZNPKEETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c1-12-13(2)25-17(26)10-16(23-6-8-27-9-7-23)22-19(25)24(12)11-14-4-3-5-15(20)18(14)21/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-2,3-dimethyl-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
1-[(2,3-dichlorophenyl)methyl]-2,3-dimethyl-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 407.30 g/mol, XLogP of 3.30, 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]-2,3-dimethyl-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57401869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).