(5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

C19H21N3OS — CID 13301164

IUPAC(5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCCCc1c(SC)nc2nc(C(=O)c3ccccc3)cn2c1CC
InChIInChI=1S/C19H21N3OS/c1-4-9-14-16(5-2)22-12-15(20-19(22)21-18(14)24-3)17(23)13-10-7-6-8-11-13/h6-8,10-12H,4-5,9H2,1-3H3
InChIKeyAFQMQAWKIMDFFT-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.20
Rot. Bonds6

About (5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

(5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (PubChem CID 13301164) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is (5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
PubChem CID13301164
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name(5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCCCc1c(SC)nc2nc(C(=O)c3ccccc3)cn2c1CC
InChIInChI=1S/C19H21N3OS/c1-4-9-14-16(5-2)22-12-15(20-19(22)21-18(14)24-3)17(23)13-10-7-6-8-11-13/h6-8,10-12H,4-5,9H2,1-3H3
InChIKeyAFQMQAWKIMDFFT-UHFFFAOYSA-N
XLogP4.20
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The IUPAC name of (5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (CID 13301164) is (5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.
What is the SMILES notation for (5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The canonical SMILES for (5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is CCCc1c(SC)nc2nc(C(=O)c3ccccc3)cn2c1CC.
What is the InChIKey of (5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The InChIKey is AFQMQAWKIMDFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-4-9-14-16(5-2)22-12-15(20-19(22)21-18(14)24-3)17(23)13-10-7-6-8-11-13/h6-8,10-12H,4-5,9H2,1-3H3.
What are the key properties of (5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
(5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone has a molecular weight of 339.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is sourced from PubChem (CID 13301164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).