3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline

C13H11FN4S — CID 43303479

IUPAC3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
SMILESNc1ccc(SCc2cn3cccnc3n2)c(F)c1
InChIInChI=1S/C13H11FN4S/c14-11-6-9(15)2-3-12(11)19-8-10-7-18-5-1-4-16-13(18)17-10/h1-7H,8,15H2
InChIKeyDUEYHOAHNUWWMZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.74
Rot. Bonds3

About 3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline

3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline (PubChem CID 43303479) has the molecular formula C13H11FN4S and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
PubChem CID43303479
Molecular FormulaC13H11FN4S
Molecular Weight274.32 g/mol
Exact Mass274.07
IUPAC Name3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
SMILESNc1ccc(SCc2cn3cccnc3n2)c(F)c1
InChIInChI=1S/C13H11FN4S/c14-11-6-9(15)2-3-12(11)19-8-10-7-18-5-1-4-16-13(18)17-10/h1-7H,8,15H2
InChIKeyDUEYHOAHNUWWMZ-UHFFFAOYSA-N
XLogP2.74
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline 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-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 693030
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline
CID 43302389
3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 43213368
2-imidazo[1,2-a]pyrimidin-2-ylethanamine;hydrobromide
CID 71756465
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 700171
3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine
CID 66228154
[5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630146
3-fluoro-4-(1,3-thiazol-4-ylmethylsulfanyl)aniline
CID 43303709
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 20787304
3-fluoro-4-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]aniline
CID 64785904
4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline
CID 2997679
3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
CID 79827126

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline?
The IUPAC name of 3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline (CID 43303479) is 3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline.
What is the SMILES notation for 3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline?
The canonical SMILES for 3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline is Nc1ccc(SCc2cn3cccnc3n2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline?
The InChIKey is DUEYHOAHNUWWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4S/c14-11-6-9(15)2-3-12(11)19-8-10-7-18-5-1-4-16-13(18)17-10/h1-7H,8,15H2.
What are the key properties of 3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline?
3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline has a molecular weight of 274.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline is sourced from PubChem (CID 43303479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).