(5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

C15H13N3OS — CID 13301035

IUPAC(5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCSc1cc(C)n2cc(C(=O)c3ccccc3)nc2n1
InChIInChI=1S/C15H13N3OS/c1-10-8-13(20-2)17-15-16-12(9-18(10)15)14(19)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyLKKOKEJLKPMPHJ-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.99
Rot. Bonds3

About (5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

(5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (PubChem CID 13301035) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is (5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
PubChem CID13301035
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name(5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCSc1cc(C)n2cc(C(=O)c3ccccc3)nc2n1
InChIInChI=1S/C15H13N3OS/c1-10-8-13(20-2)17-15-16-12(9-18(10)15)14(19)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyLKKOKEJLKPMPHJ-UHFFFAOYSA-N
XLogP2.99
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The IUPAC name of (5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (CID 13301035) is (5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.
What is the SMILES notation for (5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The canonical SMILES for (5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is CSc1cc(C)n2cc(C(=O)c3ccccc3)nc2n1.
What is the InChIKey of (5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The InChIKey is LKKOKEJLKPMPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10-8-13(20-2)17-15-16-12(9-18(10)15)14(19)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of (5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
(5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone has a molecular weight of 283.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is sourced from PubChem (CID 13301035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).