2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine

C19H17FN6S — CID 151475420

IUPAC2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCSc1nccc(-c2c(-c3ccc(F)cc3)nc3c(N(C)C)nccn23)n1
InChIInChI=1S/C19H17FN6S/c1-25(2)17-18-24-15(12-4-6-13(20)7-5-12)16(26(18)11-10-21-17)14-8-9-22-19(23-14)27-3/h4-11H,1-3H3
InChIKeyPLILNLDCVRFBMR-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.78
Rot. Bonds4

About 2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine

2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 151475420) has the molecular formula C19H17FN6S and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID151475420
Molecular FormulaC19H17FN6S
Molecular Weight380.45 g/mol
Exact Mass380.12
IUPAC Name2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCSc1nccc(-c2c(-c3ccc(F)cc3)nc3c(N(C)C)nccn23)n1
InChIInChI=1S/C19H17FN6S/c1-25(2)17-18-24-15(12-4-6-13(20)7-5-12)16(26(18)11-10-21-17)14-8-9-22-19(23-14)27-3/h4-11H,1-3H3
InChIKeyPLILNLDCVRFBMR-UHFFFAOYSA-N
XLogP3.78
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine (CID 151475420) is 2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine is CSc1nccc(-c2c(-c3ccc(F)cc3)nc3c(N(C)C)nccn23)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is PLILNLDCVRFBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6S/c1-25(2)17-18-24-15(12-4-6-13(20)7-5-12)16(26(18)11-10-21-17)14-8-9-22-19(23-14)27-3/h4-11H,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine?
2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 380.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,N-dimethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 151475420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).