2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one

C25H23N5OS — CID 60517059

IUPAC2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one
SMILESCc1cc(C)n2cc(CSc3nc4ccccc4c(=O)n3-c3c(C)cccc3C)nc2n1
InChIInChI=1S/C25H23N5OS/c1-15-8-7-9-16(2)22(15)30-23(31)20-10-5-6-11-21(20)28-25(30)32-14-19-13-29-18(4)12-17(3)26-24(29)27-19/h5-13H,14H2,1-4H3
InChIKeyZFEQIMJFTPONCE-UHFFFAOYSA-N
MW441.56 g/mol
LogP4.95
Rot. Bonds4

About 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one

2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one (PubChem CID 60517059) has the molecular formula C25H23N5OS and a molecular weight of 441.56 g/mol. Its IUPAC name is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one
PubChem CID60517059
Molecular FormulaC25H23N5OS
Molecular Weight441.56 g/mol
Exact Mass441.16
IUPAC Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one
SMILESCc1cc(C)n2cc(CSc3nc4ccccc4c(=O)n3-c3c(C)cccc3C)nc2n1
InChIInChI=1S/C25H23N5OS/c1-15-8-7-9-16(2)22(15)30-23(31)20-10-5-6-11-21(20)28-25(30)32-14-19-13-29-18(4)12-17(3)26-24(29)27-19/h5-13H,14H2,1-4H3
InChIKeyZFEQIMJFTPONCE-UHFFFAOYSA-N
XLogP4.95
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one with MolForge

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Related Compounds

2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,5-dimethylphenyl)quinazolin-4-one
CID 60517104
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-hexylquinazolin-4-one
CID 60516958
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one
CID 24651629
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 8524705
2-[[4-(difluoromethylsulfonyl)phenyl]methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one
CID 112803030
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 7501248
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2085698
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 42971013
5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 44548778
3-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 24589494
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
CID 5028946
2-[(2-amino-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methylsulfanyl]-3-(2,3-dimethylphenyl)quinazolin-4-one
CID 60585771

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one?
The IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one (CID 60517059) is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one is Cc1cc(C)n2cc(CSc3nc4ccccc4c(=O)n3-c3c(C)cccc3C)nc2n1.
What is the InChIKey of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one?
The InChIKey is ZFEQIMJFTPONCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS/c1-15-8-7-9-16(2)22(15)30-23(31)20-10-5-6-11-21(20)28-25(30)32-14-19-13-29-18(4)12-17(3)26-24(29)27-19/h5-13H,14H2,1-4H3.
What are the key properties of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one?
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one has a molecular weight of 441.56 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one is sourced from PubChem (CID 60517059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).