2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid

C11H13N3O2S — CID 3645743

IUPAC2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid
SMILESCc1cc(C)n2cc(CSCC(=O)O)nc2n1
InChIInChI=1S/C11H13N3O2S/c1-7-3-8(2)14-4-9(13-11(14)12-7)5-17-6-10(15)16/h3-4H,5-6H2,1-2H3,(H,15,16)
InChIKeyMOKSCDRNNQRPRU-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.66
Rot. Bonds4

About 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid

2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid (PubChem CID 3645743) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid
PubChem CID3645743
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid
SMILESCc1cc(C)n2cc(CSCC(=O)O)nc2n1
InChIInChI=1S/C11H13N3O2S/c1-7-3-8(2)14-4-9(13-11(14)12-7)5-17-6-10(15)16/h3-4H,5-6H2,1-2H3,(H,15,16)
InChIKeyMOKSCDRNNQRPRU-UHFFFAOYSA-N
XLogP1.66
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid?
The IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid (CID 3645743) is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid?
The canonical SMILES for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid is Cc1cc(C)n2cc(CSCC(=O)O)nc2n1.
What is the InChIKey of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid?
The InChIKey is MOKSCDRNNQRPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7-3-8(2)14-4-9(13-11(14)12-7)5-17-6-10(15)16/h3-4H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid?
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid has a molecular weight of 251.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid is sourced from PubChem (CID 3645743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).