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

C15H19N3O2S — CID 65441919

IUPAC2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
SMILESCc1cc(C)n2cc(CSCC3(CC(=O)O)CC3)nc2n1
InChIInChI=1S/C15H19N3O2S/c1-10-5-11(2)18-7-12(17-14(18)16-10)8-21-9-15(3-4-15)6-13(19)20/h5,7H,3-4,6,8-9H2,1-2H3,(H,19,20)
InChIKeyXDEYPNFMXNEEPT-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.83
Rot. Bonds6

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

2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 65441919) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
PubChem CID65441919
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
SMILESCc1cc(C)n2cc(CSCC3(CC(=O)O)CC3)nc2n1
InChIInChI=1S/C15H19N3O2S/c1-10-5-11(2)18-7-12(17-14(18)16-10)8-21-9-15(3-4-15)6-13(19)20/h5,7H,3-4,6,8-9H2,1-2H3,(H,19,20)
InChIKeyXDEYPNFMXNEEPT-UHFFFAOYSA-N
XLogP2.83
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]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

(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate
CID 77060718
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol
CID 112695433
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 63064159
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate
CID 47109704
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methanethiol
CID 87896349
2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid
CID 107461681
2-[1-[(3,6-dichloro-2-pyridinyl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65442094
1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid
CID 62059594
5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 23910306
4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135473743
2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol
CID 23790947
2-[1-[(2,6-dichloro-3-pyridinyl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 106993404

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid (CID 65441919) is 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid is Cc1cc(C)n2cc(CSCC3(CC(=O)O)CC3)nc2n1.
What is the InChIKey of 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is XDEYPNFMXNEEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-5-11(2)18-7-12(17-14(18)16-10)8-21-9-15(3-4-15)6-13(19)20/h5,7H,3-4,6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 305.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65441919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).