(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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Related Compounds

[6-Ethyl-5-methyl-7-(methylthio)imidazo[1,2-a]pyrimidin-2-yl]phenylmethanone
CID 10041142
(5-Methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
CID 13301027
(5-Methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301035
(7-Methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301036
(5-Methyl-7-methylsulfanyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301162
(2-Methylimidazo[1,2-a]pyridin-3-yl)(phenyl)methanone
CID 2998403
1-(4-Fluoro-phenyl)-2-(3-methyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-ethanone
CID 651226
2-(3-Methyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-phenyl-ethanone
CID 655285
1-[1-(3-Fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 2592907
(2,8-Dimethylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone;hydrochloride
CID 9550101
(7-Methylsulfanyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)-phenylmethanone
CID 13301021
(8-Methyl-5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
CID 13301032

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).