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

C17H17N3OS — CID 13301036

IUPAC(7-methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCCCc1cc(SC)nc2nc(C(=O)c3ccccc3)cn12
InChIInChI=1S/C17H17N3OS/c1-3-7-13-10-15(22-2)19-17-18-14(11-20(13)17)16(21)12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3
InChIKeySXGINRZCVHEHII-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.63
Rot. Bonds5

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

(7-methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (PubChem CID 13301036) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is (7-methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
PubChem CID13301036
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name(7-methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCCCc1cc(SC)nc2nc(C(=O)c3ccccc3)cn12
InChIInChI=1S/C17H17N3OS/c1-3-7-13-10-15(22-2)19-17-18-14(11-20(13)17)16(21)12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3
InChIKeySXGINRZCVHEHII-UHFFFAOYSA-N
XLogP3.63
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The IUPAC name of (7-methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (CID 13301036) is (7-methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.
What is the SMILES notation for (7-methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The canonical SMILES for (7-methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is CCCc1cc(SC)nc2nc(C(=O)c3ccccc3)cn12.
What is the InChIKey of (7-methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The InChIKey is SXGINRZCVHEHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-3-7-13-10-15(22-2)19-17-18-14(11-20(13)17)16(21)12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3.
What are the key properties of (7-methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
(7-methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone has a molecular weight of 311.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is sourced from PubChem (CID 13301036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).