2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid

C15H13N3O2S — CID 64929348

IUPAC2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(SCc2cn3cccnc3n2)cc1
InChIInChI=1S/C15H13N3O2S/c19-14(20)8-11-2-4-13(5-3-11)21-10-12-9-18-7-1-6-16-15(18)17-12/h1-7,9H,8,10H2,(H,19,20)
InChIKeyWSLAHLKPFLDQSN-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.65
Rot. Bonds5

About 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid

2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid (PubChem CID 64929348) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid
PubChem CID64929348
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(SCc2cn3cccnc3n2)cc1
InChIInChI=1S/C15H13N3O2S/c19-14(20)8-11-2-4-13(5-3-11)21-10-12-9-18-7-1-6-16-15(18)17-12/h1-7,9H,8,10H2,(H,19,20)
InChIKeyWSLAHLKPFLDQSN-UHFFFAOYSA-N
XLogP2.65
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid
CID 43310274
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 693030
2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid
CID 107461745
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 700171
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 20787304
4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline
CID 2997679
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline
CID 43302389
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 99824952
3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 43303479
3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 43213368
[5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630146
2-[4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]phenyl]acetic acid
CID 64928160

Frequently Asked Questions

What is the IUPAC name of 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid (CID 64929348) is 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid is O=C(O)Cc1ccc(SCc2cn3cccnc3n2)cc1.
What is the InChIKey of 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid?
The InChIKey is WSLAHLKPFLDQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14(20)8-11-2-4-13(5-3-11)21-10-12-9-18-7-1-6-16-15(18)17-12/h1-7,9H,8,10H2,(H,19,20).
What are the key properties of 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid?
2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid has a molecular weight of 299.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid is sourced from PubChem (CID 64929348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).