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

C17H17N3OS — CID 10041142

IUPAC(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCCc1c(SC)nc2nc(C(=O)c3ccccc3)cn2c1C
InChIInChI=1S/C17H17N3OS/c1-4-13-11(2)20-10-14(18-17(20)19-16(13)22-3)15(21)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3
InChIKeyBGKUHIDYYBXDRX-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.55
Rot. Bonds4

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

(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (PubChem CID 10041142) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is (6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
PubChem CID10041142
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCCc1c(SC)nc2nc(C(=O)c3ccccc3)cn2c1C
InChIInChI=1S/C17H17N3OS/c1-4-13-11(2)20-10-14(18-17(20)19-16(13)22-3)15(21)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3
InChIKeyBGKUHIDYYBXDRX-UHFFFAOYSA-N
XLogP3.55
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The IUPAC name of (6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (CID 10041142) is (6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.
What is the SMILES notation for (6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The canonical SMILES for (6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is CCc1c(SC)nc2nc(C(=O)c3ccccc3)cn2c1C.
What is the InChIKey of (6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The InChIKey is BGKUHIDYYBXDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-4-13-11(2)20-10-14(18-17(20)19-16(13)22-3)15(21)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3.
What are the key properties of (6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone has a molecular weight of 311.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is sourced from PubChem (CID 10041142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).