7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine

C20H17N3OS — CID 69376905

IUPAC7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine
SMILESCc1ccn2c(-c3ccccc3)c(-c3ccc(S(C)=O)cc3)nc2n1
InChIInChI=1S/C20H17N3OS/c1-14-12-13-23-19(16-6-4-3-5-7-16)18(22-20(23)21-14)15-8-10-17(11-9-15)25(2)24/h3-13H,1-2H3
InChIKeyKLJJBKVSEOQPOY-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.11
Rot. Bonds3

About 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine

7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine (PubChem CID 69376905) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine
PubChem CID69376905
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine
SMILESCc1ccn2c(-c3ccccc3)c(-c3ccc(S(C)=O)cc3)nc2n1
InChIInChI=1S/C20H17N3OS/c1-14-12-13-23-19(16-6-4-3-5-7-16)18(22-20(23)21-14)15-8-10-17(11-9-15)25(2)24/h3-13H,1-2H3
InChIKeyKLJJBKVSEOQPOY-UHFFFAOYSA-N
XLogP4.11
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine (CID 69376905) is 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine is Cc1ccn2c(-c3ccccc3)c(-c3ccc(S(C)=O)cc3)nc2n1.
What is the InChIKey of 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine?
The InChIKey is KLJJBKVSEOQPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-14-12-13-23-19(16-6-4-3-5-7-16)18(22-20(23)21-14)15-8-10-17(11-9-15)25(2)24/h3-13H,1-2H3.
What are the key properties of 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine?
7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine has a molecular weight of 347.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 69376905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).